6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C14H15F3N4 — CID 106769597

IUPAC6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccncc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-5-19-12-7-11(10-4-6-18-8-9(10)2)20-13(21-12)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyOXWBDPTZRJTOMW-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.69
Rot. Bonds4

About 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769597) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769597
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccncc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-5-19-12-7-11(10-4-6-18-8-9(10)2)20-13(21-12)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyOXWBDPTZRJTOMW-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 80948737
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769220
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769802
N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769597) is 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(-c2ccncc2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OXWBDPTZRJTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-5-19-12-7-11(10-4-6-18-8-9(10)2)20-13(21-12)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 296.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).