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

C16H14F3N5 — CID 15983474

IUPAC4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C)cc12
InChIInChI=1S/C16H14F3N5/c1-8-7-10-13(21-2)23-15(20)24-14(10)22-12(8)9-5-3-4-6-11(9)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
InChIKeyKJWNQIIRAFSNII-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.64
Rot. Bonds2

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

4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983474) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983474
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C)cc12
InChIInChI=1S/C16H14F3N5/c1-8-7-10-13(21-2)23-15(20)24-14(10)22-12(8)9-5-3-4-6-11(9)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
InChIKeyKJWNQIIRAFSNII-UHFFFAOYSA-N
XLogP3.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983474) is 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C)cc12.
What is the InChIKey of 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KJWNQIIRAFSNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-8-7-10-13(21-2)23-15(20)24-14(10)22-12(8)9-5-3-4-6-11(9)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 333.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).