2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C15H14F3N3 — CID 5086296

IUPAC2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESC=CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C15H14F3N3/c1-3-7-19-14-9-13(20-10(2)21-14)11-5-4-6-12(8-11)15(16,17)18/h3-6,8-9H,1,7H2,2H3,(H,19,20,21)
InChIKeySHXHMVZDUKUNDH-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 5086296) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID5086296
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESC=CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C15H14F3N3/c1-3-7-19-14-9-13(20-10(2)21-14)11-5-4-6-12(8-11)15(16,17)18/h3-6,8-9H,1,7H2,2H3,(H,19,20,21)
InChIKeySHXHMVZDUKUNDH-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
N',N'-dimethyl-N-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 4667934
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 58878046
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
2-phenyl-6-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112852063
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
6-N-[2-(3-chlorophenyl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 5086296) is 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is C=CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(C)n1.
What is the InChIKey of 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is SHXHMVZDUKUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-3-7-19-14-9-13(20-10(2)21-14)11-5-4-6-12(8-11)15(16,17)18/h3-6,8-9H,1,7H2,2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 293.29 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 5086296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).