2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H26N6 — CID 133331834

About 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133331834) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 133331834
• Molecular Formula: C21H26N6
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.22
• IUPAC Name: 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• SMILES: CCC(Nc1nc(-c2ccncc2)nc2c1CCC2)c1c(C)nn(C)c1C
• InChI: InChI=1S/C21H26N6/c1-5-17(19-13(2)26-27(4)14(19)3)23-21-16-7-6-8-18(16)24-20(25-21)15-9-11-22-12-10-15/h9-12,17H,5-8H2,1-4H3,(H,23,24,25)
• InChIKey: VYLNNTIODMZLML-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133331834) is 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCC(Nc1nc(-c2ccncc2)nc2c1CCC2)c1c(C)nn(C)c1C.

What is the InChIKey of 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is VYLNNTIODMZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-5-17(19-13(2)26-27(4)14(19)3)23-21-16-7-6-8-18(16)24-20(25-21)15-9-11-22-12-10-15/h9-12,17H,5-8H2,1-4H3,(H,23,24,25).

What are the key properties of 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133331834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).