5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine

C22H28N6O2S — CID 176670757

IUPAC5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)nc2n1
InChIInChI=1S/C22H28N6O2S/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(7-5-16)31(3,29)30/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyRVNFZFHLTDJQGL-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.70
Rot. Bonds5

About 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine

5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176670757) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176670757
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)nc2n1
InChIInChI=1S/C22H28N6O2S/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(7-5-16)31(3,29)30/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyRVNFZFHLTDJQGL-UHFFFAOYSA-N
XLogP2.70
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
2-N-[1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
5,7-dimethyl-2-N-[1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671106
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 176670877
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidin-1-yl]methyl]benzonitrile
CID 176670902
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 176671520
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176670757) is 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RVNFZFHLTDJQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(7-5-16)31(3,29)30/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 440.57 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).