4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C16H14F3N5O2S — CID 15983717

IUPAC4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)cc12
InChIInChI=1S/C16H14F3N5O2S/c1-21-13-9-7-11(27(2,25)26)12(22-14(9)24-15(20)23-13)8-5-3-4-6-10(8)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
InChIKeyCCDWLBHDOANNKH-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.74
Rot. Bonds3

About 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983717) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983717
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC Name4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)cc12
InChIInChI=1S/C16H14F3N5O2S/c1-21-13-9-7-11(27(2,25)26)12(22-14(9)24-15(20)23-13)8-5-3-4-6-10(8)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
InChIKeyCCDWLBHDOANNKH-UHFFFAOYSA-N
XLogP2.74
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983717) is 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)cc12.
What is the InChIKey of 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CCDWLBHDOANNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c1-21-13-9-7-11(27(2,25)26)12(22-14(9)24-15(20)23-13)8-5-3-4-6-10(8)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 397.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).