6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine

C14H11F3N6O — CID 155534197

IUPAC6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)24-8-3-1-7(2-4-8)20-10-6-5-9-11(22-10)12(18)23-13(19)21-9/h1-6H,(H,20,22)(H4,18,19,21,23)
InChIKeyAZYLXOMAQJPRBN-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.83
Rot. Bonds3

About 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155534197) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155534197
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)24-8-3-1-7(2-4-8)20-10-6-5-9-11(22-10)12(18)23-13(19)21-9/h1-6H,(H,20,22)(H4,18,19,21,23)
InChIKeyAZYLXOMAQJPRBN-UHFFFAOYSA-N
XLogP2.83
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
N6-(3,4-dimethoxyphenyl)-N6-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476035
2-chloro-N-(3-fluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
CID 164611321
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 914394
6-[(4-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457776
6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 11381980
4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 44612038
N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine
CID 46883988
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 54764411
4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 159076421
4-N-butyl-6-[(2-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 160028113
(4-Methoxyphenyl){2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-yl}amine
CID 910857

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155534197) is 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine is Nc1nc(N)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc2n1.
What is the InChIKey of 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is AZYLXOMAQJPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c15-14(16,17)24-8-3-1-7(2-4-8)20-10-6-5-9-11(22-10)12(18)23-13(19)21-9/h1-6H,(H,20,22)(H4,18,19,21,23).
What are the key properties of 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 336.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155534197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).