1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea

C20H23N7O — CID 118778430

About 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea

1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea (PubChem CID 118778430) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
• PubChem CID: 118778430
• Molecular Formula: C20H23N7O
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.20
• IUPAC Name: 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
• SMILES: Cc1nc(CCNC(=O)Nc2cc(-c3ccccn3)nn2C)nc2c1CCC2
• InChI: InChI=1S/C20H23N7O/c1-13-14-6-5-8-15(14)24-18(23-13)9-11-22-20(28)25-19-12-17(26-27(19)2)16-7-3-4-10-21-16/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H2,22,25,28)
• InChIKey: OOGWQDDFXWNCON-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea (CID 118778430) is 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea.

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

The canonical SMILES for 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea is Cc1nc(CCNC(=O)Nc2cc(-c3ccccn3)nn2C)nc2c1CCC2.

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

The InChIKey is OOGWQDDFXWNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-14-6-5-8-15(14)24-18(23-13)9-11-22-20(28)25-19-12-17(26-27(19)2)16-7-3-4-10-21-16/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H2,22,25,28).

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

1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea has a molecular weight of 377.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 118778430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).