4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine

C26H36N8 — CID 89307519

About 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine

4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine (PubChem CID 89307519) has the molecular formula C26H36N8 and a molecular weight of 460.63 g/mol. Its IUPAC name is 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine
• PubChem CID: 89307519
• Molecular Formula: C26H36N8
• Molecular Weight: 460.63 g/mol
• Exact Mass: 460.31
• IUPAC Name: 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine
• SMILES: C=C(C1CC1)N1CCN(c2nc(C3CC3)c(-c3cc(CCN)nc(N)n3)cc2N)C[C@H]1C1CC1
• InChI: InChI=1S/C26H36N8/c1-15(16-2-3-16)34-11-10-33(14-23(34)17-4-5-17)25-21(28)13-20(24(32-25)18-6-7-18)22-12-19(8-9-27)30-26(29)31-22/h12-13,16-18,23H,1-11,14,27-28H2,(H2,29,30,31)/t23-/m0/s1
• InChIKey: URHAAOSUVZRNNK-QHCPKHFHSA-N
• XLogP: 2.91
• TPSA: 123.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.63
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine?

The IUPAC name of 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine (CID 89307519) is 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine?

The canonical SMILES for 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine is C=C(C1CC1)N1CCN(c2nc(C3CC3)c(-c3cc(CCN)nc(N)n3)cc2N)C[C@H]1C1CC1.

What is the InChIKey of 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine?

The InChIKey is URHAAOSUVZRNNK-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36N8/c1-15(16-2-3-16)34-11-10-33(14-23(34)17-4-5-17)25-21(28)13-20(24(32-25)18-6-7-18)22-12-19(8-9-27)30-26(29)31-22/h12-13,16-18,23H,1-11,14,27-28H2,(H2,29,30,31)/t23-/m0/s1.

What are the key properties of 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine?

4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine has a molecular weight of 460.63 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-2-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(1-cyclopropylethenyl)piperazin-1-yl]-3-pyridinyl]-6-(2-aminoethyl)pyrimidin-2-amine is sourced from PubChem (CID 89307519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).