N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H12ClF3N4O — CID 10110345

IUPACN-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H12ClF3N4O/c1-26-11-2-3-12(18)13(8-11)23-15-9-14(17(19,20)21)24-16(25-15)10-4-6-22-7-5-10/h2-9H,1H3,(H,23,24,25)
InChIKeyIQDUNQUQCWGICF-UHFFFAOYSA-N
MW380.76 g/mol
LogP4.96
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 10110345) has the molecular formula C17H12ClF3N4O and a molecular weight of 380.76 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID10110345
Molecular FormulaC17H12ClF3N4O
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H12ClF3N4O/c1-26-11-2-3-12(18)13(8-11)23-15-9-14(17(19,20)21)24-16(25-15)10-4-6-22-7-5-10/h2-9H,1H3,(H,23,24,25)
InChIKeyIQDUNQUQCWGICF-UHFFFAOYSA-N
XLogP4.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
N-(2-chloro-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
CID 11973903
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 15956124
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752
4-(2-Chloro-5-hydroxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10109502
4-(5-Methoxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133127
4-(2,5-Dimethoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10156358
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 10110345) is N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IQDUNQUQCWGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O/c1-26-11-2-3-12(18)13(8-11)23-15-9-14(17(19,20)21)24-16(25-15)10-4-6-22-7-5-10/h2-9H,1H3,(H,23,24,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 380.76 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 10110345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).