2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine

C13H16N4O3S — CID 118322992

IUPAC2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
SMILESCS(=O)(=O)c1ncc2ccnc(NC3CCOCC3)c2n1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)13-15-8-9-2-5-14-12(11(9)17-13)16-10-3-6-20-7-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16)
InChIKeySSTATTSCNLGARU-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.02
Rot. Bonds3

About 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine

2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine (PubChem CID 118322992) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
PubChem CID118322992
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
SMILESCS(=O)(=O)c1ncc2ccnc(NC3CCOCC3)c2n1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)13-15-8-9-2-5-14-12(11(9)17-13)16-10-3-6-20-7-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16)
InChIKeySSTATTSCNLGARU-UHFFFAOYSA-N
XLogP1.02
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-N-(oxepan-4-yl)isoquinolin-1-amine
CID 167907426
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide
CID 167868150
2-(methylamino)-N-(oxan-4-yl)pyridine-4-sulfonamide
CID 62147724
3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 104506459
4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide
CID 142592643
N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 153085241
3-ethynyl-N-(oxan-4-yl)pyridin-2-amine
CID 87270673
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
2-methylsulfanyl-4-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
CID 87628203
5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine
CID 164606196

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine (CID 118322992) is 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine is CS(=O)(=O)c1ncc2ccnc(NC3CCOCC3)c2n1.
What is the InChIKey of 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is SSTATTSCNLGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-21(18,19)13-15-8-9-2-5-14-12(11(9)17-13)16-10-3-6-20-7-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16).
What are the key properties of 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine?
2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 308.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 118322992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).