6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C14H14F3N3 — CID 62190181

IUPAC6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-3-4-18-12-5-8(2)19-14(20-12)9-6-10(15)13(17)11(16)7-9/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyIGQZPZGVMHIJIQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.69
Rot. Bonds4

About 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 62190181) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID62190181
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-3-4-18-12-5-8(2)19-14(20-12)9-6-10(15)13(17)11(16)7-9/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyIGQZPZGVMHIJIQ-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 135978603
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966
2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106793012
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 62190181) is 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is CCCNc1cc(C)nc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is IGQZPZGVMHIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-3-4-18-12-5-8(2)19-14(20-12)9-6-10(15)13(17)11(16)7-9/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62190181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).