5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C17H19N5O2S — CID 177147652

IUPAC5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NCc3cccc(S(C)(=O)=O)c3)nc2n1
InChIInChI=1S/C17H19N5O2S/c1-10-7-11(2)20-16-14(10)15(18)21-17(22-16)19-9-12-5-4-6-13(8-12)25(3,23)24/h4-8H,9H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyBLQRDRGIGZJPLI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.24
Rot. Bonds4

About 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 177147652) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID177147652
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NCc3cccc(S(C)(=O)=O)c3)nc2n1
InChIInChI=1S/C17H19N5O2S/c1-10-7-11(2)20-16-14(10)15(18)21-17(22-16)19-9-12-5-4-6-13(8-12)25(3,23)24/h4-8H,9H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyBLQRDRGIGZJPLI-UHFFFAOYSA-N
XLogP2.24
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 100670807
2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147592
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
5,7-dimethyl-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147679
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
5,7-dimethyl-2-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147584
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
N'-[(3-methylsulfonylphenyl)methyl]oxamide
CID 168950555
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147620

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 177147652) is 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NCc3cccc(S(C)(=O)=O)c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BLQRDRGIGZJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10-7-11(2)20-16-14(10)15(18)21-17(22-16)19-9-12-5-4-6-13(8-12)25(3,23)24/h4-8H,9H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 357.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 177147652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).