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

C15H12F3N5 — CID 15982965

IUPAC4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5/c1-20-12-9-6-7-11(21-13(9)23-14(19)22-12)8-4-2-3-5-10(8)15(16,17)18/h2-7H,1H3,(H3,19,20,21,22,23)
InChIKeyBOHXWIVDPLKMHU-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.33
Rot. Bonds2

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

4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982965) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982965
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5/c1-20-12-9-6-7-11(21-13(9)23-14(19)22-12)8-4-2-3-5-10(8)15(16,17)18/h2-7H,1H3,(H3,19,20,21,22,23)
InChIKeyBOHXWIVDPLKMHU-UHFFFAOYSA-N
XLogP3.33
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982965) is 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12.
What is the InChIKey of 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BOHXWIVDPLKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-20-12-9-6-7-11(21-13(9)23-14(19)22-12)8-4-2-3-5-10(8)15(16,17)18/h2-7H,1H3,(H3,19,20,21,22,23).
What are the key properties of 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 319.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).