N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C14H15F3N4 — CID 106769802

IUPACN-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-5-19-12-8-11(7-10-4-3-6-18-9-10)20-13(21-12)14(15,16)17/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20,21)
InChIKeyIFDGFQIEWDASSK-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.30
Rot. Bonds5

About N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769802) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769802
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-5-19-12-8-11(7-10-4-3-6-18-9-10)20-13(21-12)14(15,16)17/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20,21)
InChIKeyIFDGFQIEWDASSK-UHFFFAOYSA-N
XLogP3.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769805
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
N-methyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737132
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769597
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737154
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774883
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769802) is N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IFDGFQIEWDASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-5-19-12-8-11(7-10-4-3-6-18-9-10)20-13(21-12)14(15,16)17/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,20,21).
What are the key properties of N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 296.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).