N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H12ClF3N4O — CID 22732469

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C17H12ClF3N4O/c1-26-13-5-4-11(18)7-12(13)23-15-8-14(17(19,20)21)24-16(25-15)10-3-2-6-22-9-10/h2-9H,1H3,(H,23,24,25)
InChIKeySOGYMKNBQQMAKP-UHFFFAOYSA-N
MW380.76 g/mol
LogP4.96
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22732469) has the molecular formula C17H12ClF3N4O and a molecular weight of 380.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22732469
Molecular FormulaC17H12ClF3N4O
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C17H12ClF3N4O/c1-26-13-5-4-11(18)7-12(13)23-15-8-14(17(19,20)21)24-16(25-15)10-3-2-6-22-9-10/h2-9H,1H3,(H,23,24,25)
InChIKeySOGYMKNBQQMAKP-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 22732469) is N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SOGYMKNBQQMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O/c1-26-13-5-4-11(18)7-12(13)23-15-8-14(17(19,20)21)24-16(25-15)10-3-2-6-22-9-10/h2-9H,1H3,(H,23,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-2-pyridin-3-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-(5-chloro-2-methoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22732469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).