8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine

C24H30N8S — CID 66552425

About 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine

8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine (PubChem CID 66552425) has the molecular formula C24H30N8S and a molecular weight of 462.63 g/mol. Its IUPAC name is 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine.

Molecular Properties

• Compound Name: 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
• PubChem CID: 66552425
• Molecular Formula: C24H30N8S
• Molecular Weight: 462.63 g/mol
• Exact Mass: 462.23
• IUPAC Name: 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
• SMILES: CSc1ccccc1Nc1nc(N2CCC3(CCNC3)C2)nc2c(NCC3CC3)ncnc12
• InChI: InChI=1S/C24H30N8S/c1-33-18-5-3-2-4-17(18)29-22-19-20(21(28-15-27-19)26-12-16-6-7-16)30-23(31-22)32-11-9-24(14-32)8-10-25-13-24/h2-5,15-16,25H,6-14H2,1H3,(H,26,27,28)(H,29,30,31)
• InChIKey: QZJMWNBZGMICLJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 90.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.63
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?

The IUPAC name of 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine (CID 66552425) is 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine.

What is the SMILES notation for 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?

The canonical SMILES for 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine is CSc1ccccc1Nc1nc(N2CCC3(CCNC3)C2)nc2c(NCC3CC3)ncnc12.

What is the InChIKey of 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?

The InChIKey is QZJMWNBZGMICLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8S/c1-33-18-5-3-2-4-17(18)29-22-19-20(21(28-15-27-19)26-12-16-6-7-16)30-23(31-22)32-11-9-24(14-32)8-10-25-13-24/h2-5,15-16,25H,6-14H2,1H3,(H,26,27,28)(H,29,30,31).

What are the key properties of 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?

8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine has a molecular weight of 462.63 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(cyclopropylmethyl)-2-(2,7-diazaspiro[4.4]nonan-2-yl)-4-N-(2-methylsulfanylphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 66552425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).