4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine

C13H18N6O2S — CID 154801658

IUPAC4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCS(=O)(=O)N1CCCC(Nc2ncnc3nc(N)ccc23)C1
InChIInChI=1S/C13H18N6O2S/c1-22(20,21)19-6-2-3-9(7-19)17-12-10-4-5-11(14)18-13(10)16-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyOZFPOXDHEXYXSO-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.44
Rot. Bonds3

About 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 154801658) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID154801658
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCS(=O)(=O)N1CCCC(Nc2ncnc3nc(N)ccc23)C1
InChIInChI=1S/C13H18N6O2S/c1-22(20,21)19-6-2-3-9(7-19)17-12-10-4-5-11(14)18-13(10)16-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyOZFPOXDHEXYXSO-UHFFFAOYSA-N
XLogP0.44
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
CID 47406251
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 91646510
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995340
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 58896827
1-methylsulfonyl-N-(4-nitrophenyl)piperidin-3-amine
CID 47406229

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine (CID 154801658) is 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine is CS(=O)(=O)N1CCCC(Nc2ncnc3nc(N)ccc23)C1.
What is the InChIKey of 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is OZFPOXDHEXYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-22(20,21)19-6-2-3-9(7-19)17-12-10-4-5-11(14)18-13(10)16-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 322.39 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 154801658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).