2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine

C20H28N6 — CID 138501462

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m0/s1
InChIKeyWMAIZIZUSVPLPP-IBGZPJMESA-N
MW352.49 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 138501462) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
PubChem CID138501462
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m0/s1
InChIKeyWMAIZIZUSVPLPP-IBGZPJMESA-N
XLogP2.27
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

Amprolium Hydrochloride
CID 8732
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Amprolium
CID 73341
Amprolium ion
CID 2178
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine (CID 138501462) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine is Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is WMAIZIZUSVPLPP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 138501462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).