2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine

C135H210N42 — CID 159843276

About 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine

2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine (PubChem CID 159843276) has the molecular formula C135H210N42 and a molecular weight of 2421.46 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine.

Molecular Properties

• Compound Name: 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine
• PubChem CID: 159843276
• Molecular Formula: C135H210N42
• Molecular Weight: 2421.46 g/mol
• Exact Mass: 2419.77
• IUPAC Name: 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine
• SMILES: C#CCN1[C@H](C)CN(c2cnc(C)cn2)C[C@@H]1C.Cc1ccc(N2CCNC(C)(C)C2)cc1.Cc1cnc(N2CC(C)N(C)C(C)C2)cn1.Cc1cnc(N2CCN(C)C(C)C2)nc1.Cc1cnc(N2CCN(C3CC3)CC2)nc1.Cc1cnc(N2CCN3CCCC3C2)cn1.Cc1cnc(N2CCN3CCCC3C2)nc1.Cc1cnc(N2CCN3CCCCC3C2)nc1.Cc1cnc(N2CCN3CCCCC3C2)nc1.Cc1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)cn1.Cc1cnc(N2C[C@@H](C)N[C@@H](C)C2)cn1
• InChI: InChI=1S/C14H20N4.2C13H20N4.C13H20N2.3C12H18N4.2C12H20N4.2C11H18N4/c1-5-6-18-12(3)9-17(10-13(18)4)14-8-15-11(2)7-16-14;2*1-11-8-14-13(15-9-11)17-7-6-16-5-3-2-4-12(16)10-17;1-11-4-6-12(7-5-11)15-9-8-14-13(2,3)10-15;1-10-8-13-12(14-9-10)16-6-4-15(5-7-16)11-2-3-11;1-10-7-14-12(8-13-10)16-6-5-15-4-2-3-11(15)9-16;1-10-7-13-12(14-8-10)16-6-5-15-4-2-3-11(15)9-16;2*1-9-5-14-12(6-13-9)16-7-10(2)15(4)11(3)8-16;1-8-4-13-11(5-12-8)15-6-9(2)14-10(3)7-15;1-9-6-12-11(13-7-9)15-5-4-14(3)10(2)8-15/h1,7-8,12-13H,6,9-10H2,2-4H3;2*8-9,12H,2-7,10H2,1H3;4-7,14H,8-10H2,1-3H3;8-9,11H,2-7H2,1H3;2*7-8,11H,2-6,9H2,1H3;2*5-6,10-11H,7-8H2,1-4H3;4-5,9-10,14H,6-7H2,1-3H3;6-7,10H,4-5,8H2,1-3H3/t12-,13+;;;;;;;10-,11+;;9-,10+
• InChIKey: NOYQGYLOOPZFJD-VRAMHZCZSA-N
• XLogP: 14.15
• TPSA: 346.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 13
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.46
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine?

The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine (CID 159843276) is 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine.

What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine?

The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine is C#CCN1[C@H](C)CN(c2cnc(C)cn2)C[C@@H]1C.Cc1ccc(N2CCNC(C)(C)C2)cc1.Cc1cnc(N2CC(C)N(C)C(C)C2)cn1.Cc1cnc(N2CCN(C)C(C)C2)nc1.Cc1cnc(N2CCN(C3CC3)CC2)nc1.Cc1cnc(N2CCN3CCCC3C2)cn1.Cc1cnc(N2CCN3CCCC3C2)nc1.Cc1cnc(N2CCN3CCCCC3C2)nc1.Cc1cnc(N2CCN3CCCCC3C2)nc1.Cc1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)cn1.Cc1cnc(N2C[C@@H](C)N[C@@H](C)C2)cn1.

What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine?

The InChIKey is NOYQGYLOOPZFJD-VRAMHZCZSA-N. The full InChI is InChI=1S/C14H20N4.2C13H20N4.C13H20N2.3C12H18N4.2C12H20N4.2C11H18N4/c1-5-6-18-12(3)9-17(10-13(18)4)14-8-15-11(2)7-16-14;2*1-11-8-14-13(15-9-11)17-7-6-16-5-3-2-4-12(16)10-17;1-11-4-6-12(7-5-11)15-9-8-14-13(2,3)10-15;1-10-8-13-12(14-9-10)16-6-4-15(5-7-16)11-2-3-11;1-10-7-14-12(8-13-10)16-6-5-15-4-2-3-11(15)9-16;1-10-7-13-12(14-8-10)16-6-5-15-4-2-3-11(15)9-16;2*1-9-5-14-12(6-13-9)16-7-10(2)15(4)11(3)8-16;1-8-4-13-11(5-12-8)15-6-9(2)14-10(3)7-15;1-9-6-12-11(13-7-9)15-5-4-14(3)10(2)8-15/h1,7-8,12-13H,6,9-10H2,2-4H3;2*8-9,12H,2-7,10H2,1H3;4-7,14H,8-10H2,1-3H3;8-9,11H,2-7H2,1H3;2*7-8,11H,2-6,9H2,1H3;2*5-6,10-11H,7-8H2,1-4H3;4-5,9-10,14H,6-7H2,1-3H3;6-7,10H,4-5,8H2,1-3H3/t12-,13+;;;;;;;10-,11+;;9-,10+;.

What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine?

2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine has a molecular weight of 2421.46 g/mol, XLogP of 14.15, 13 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidine;3,3-dimethyl-1-(4-methylphenyl)piperazine;2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrazine;2-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidine;2-[(3S,5R)-3,5-dimethyl-4-prop-2-ynylpiperazin-1-yl]-5-methylpyrazine;2-(5-methylpyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-(5-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine;2-methyl-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 159843276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).