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

C22H28N6OS — CID 176670811

IUPAC5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4cccc(S(C)=O)c4)CC3)nc2n1
InChIInChI=1S/C22H28N6OS/c1-14-11-15(2)24-21-19(14)20(23)26-22(27-21)25-17-7-9-28(10-8-17)13-16-5-4-6-18(12-16)30(3)29/h4-6,11-12,17H,7-10,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyMVYXITUXMSJFSU-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.04
Rot. Bonds5

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

5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176670811) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176670811
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4cccc(S(C)=O)c4)CC3)nc2n1
InChIInChI=1S/C22H28N6OS/c1-14-11-15(2)24-21-19(14)20(23)26-22(27-21)25-17-7-9-28(10-8-17)13-16-5-4-6-18(12-16)30(3)29/h4-6,11-12,17H,7-10,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyMVYXITUXMSJFSU-UHFFFAOYSA-N
XLogP3.04
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N-[1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
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
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidin-1-yl]methyl]benzonitrile
CID 176670902
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
2-[[4-[(13-amino-7-methyl-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaen-11-yl)amino]piperidin-1-yl]methyl]phenol
CID 176670661
N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
CID 163584738

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176670811) is 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NC3CCN(Cc4cccc(S(C)=O)c4)CC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MVYXITUXMSJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-14-11-15(2)24-21-19(14)20(23)26-22(27-21)25-17-7-9-28(10-8-17)13-16-5-4-6-18(12-16)30(3)29/h4-6,11-12,17H,7-10,13H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of 5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 424.57 g/mol, XLogP of 3.04, 5 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-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176670811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).