2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol

C18H24N4O — CID 139009202

About 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol

2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 139009202) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

• Compound Name: 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
• PubChem CID: 139009202
• Molecular Formula: C18H24N4O
• Molecular Weight: 312.42 g/mol
• Exact Mass: 312.20
• IUPAC Name: 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
• SMILES: CCCC(C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2
• InChI: InChI=1S/C18H24N4O/c1-3-9-18(2,23)12-20-17-14-7-4-8-15(14)21-16(22-17)13-6-5-10-19-11-13/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,20,21,22)
• InChIKey: KCBNHGPYKCXPKK-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 70.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.42
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?

The IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol (CID 139009202) is 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol.

What is the SMILES notation for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?

The canonical SMILES for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol is CCCC(C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2.

What is the InChIKey of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?

The InChIKey is KCBNHGPYKCXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-9-18(2,23)12-20-17-14-7-4-8-15(14)21-16(22-17)13-6-5-10-19-11-13/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,20,21,22).

What are the key properties of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?

2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 312.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 139009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).