8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine

C15H20N6OS — CID 170740363

IUPAC8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCS(=O)N1CCC2(CCN(c3nccc4cnc(N)nc34)C2)C1
InChIInChI=1S/C15H20N6OS/c1-23(22)21-7-4-15(10-21)3-6-20(9-15)13-12-11(2-5-17-13)8-18-14(16)19-12/h2,5,8H,3-4,6-7,9-10H2,1H3,(H2,16,18,19)
InChIKeyCPLULPNIKDKPAC-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.80
Rot. Bonds2

About 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine

8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170740363) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170740363
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCS(=O)N1CCC2(CCN(c3nccc4cnc(N)nc34)C2)C1
InChIInChI=1S/C15H20N6OS/c1-23(22)21-7-4-15(10-21)3-6-20(9-15)13-12-11(2-5-17-13)8-18-14(16)19-12/h2,5,8H,3-4,6-7,9-10H2,1H3,(H2,16,18,19)
InChIKeyCPLULPNIKDKPAC-UHFFFAOYSA-N
XLogP0.80
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 170740363) is 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine is CS(=O)N1CCC2(CCN(c3nccc4cnc(N)nc34)C2)C1.
What is the InChIKey of 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is CPLULPNIKDKPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-23(22)21-7-4-15(10-21)3-6-20(9-15)13-12-11(2-5-17-13)8-18-14(16)19-12/h2,5,8H,3-4,6-7,9-10H2,1H3,(H2,16,18,19).
What are the key properties of 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 332.43 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfinyl-2,7-diazaspiro[4.4]nonan-7-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170740363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).