4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile

C19H21N7O — CID 177140916

About 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile

4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile (PubChem CID 177140916) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 177140916
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile
• SMILES: COc1ncnc(C2CC2)c1-c1nc2c(c(NC3CC3)n1)CN(C#N)CC2
• InChI: InChI=1S/C19H21N7O/c1-27-19-15(16(11-2-3-11)21-10-22-19)18-24-14-6-7-26(9-20)8-13(14)17(25-18)23-12-4-5-12/h10-12H,2-8H2,1H3,(H,23,24,25)
• InChIKey: NILXSIIUJOZZTL-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 99.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile (CID 177140916) is 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile is COc1ncnc(C2CC2)c1-c1nc2c(c(NC3CC3)n1)CN(C#N)CC2.

What is the InChIKey of 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile?

The InChIKey is NILXSIIUJOZZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-27-19-15(16(11-2-3-11)21-10-22-19)18-24-14-6-7-26(9-20)8-13(14)17(25-18)23-12-4-5-12/h10-12H,2-8H2,1H3,(H,23,24,25).

What are the key properties of 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile?

4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile has a molecular weight of 363.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylamino)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 177140916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).