6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine

C14H15F3N4O — CID 162358652

IUPAC6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccncc2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c1-3-6-19-12-10(14(15,16)17)13(22-2)21-11(20-12)9-4-7-18-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,19,20,21)
InChIKeyASZMSIKNABPYIN-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.39
Rot. Bonds5

About 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine

6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 162358652) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID162358652
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC Name6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccncc2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c1-3-6-19-12-10(14(15,16)17)13(22-2)21-11(20-12)9-4-7-18-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,19,20,21)
InChIKeyASZMSIKNABPYIN-UHFFFAOYSA-N
XLogP3.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
CID 162358723
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
CID 163652151
6-methoxy-N-(4-methylphenyl)-2-pyridazin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 178173716
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173695
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415
6-methoxy-N-(4-methylphenyl)-2-(3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 162358746
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173674

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine (CID 162358652) is 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine is CCCNc1nc(-c2ccncc2)nc(OC)c1C(F)(F)F.
What is the InChIKey of 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ASZMSIKNABPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-3-6-19-12-10(14(15,16)17)13(22-2)21-11(20-12)9-4-7-18-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine?
6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 312.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 162358652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).