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

C20H22N6O2 — CID 166320038

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

1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 166320038) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione
• PubChem CID: 166320038
• Molecular Formula: C20H22N6O2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.18
• IUPAC Name: 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione
• SMILES: CC(C)n1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)c(=O)[nH]c1=O
• InChI: InChI=1S/C20H22N6O2/c1-12(2)26-11-14(19(27)25-20(26)28)10-22-18-15-6-3-7-16(15)23-17(24-18)13-5-4-8-21-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,22,23,24)(H,25,27,28)
• InChIKey: ZCRHOLABYJUZKC-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione (CID 166320038) is 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione.

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

The canonical SMILES for 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione is CC(C)n1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)c(=O)[nH]c1=O.

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

The InChIKey is ZCRHOLABYJUZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12(2)26-11-14(19(27)25-20(26)28)10-22-18-15-6-3-7-16(15)23-17(24-18)13-5-4-8-21-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,22,23,24)(H,25,27,28).

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

1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 378.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-5-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 166320038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).