4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H10F3N3 — CID 91926916

IUPAC4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C12H10F3N3/c1-7-3-2-4-8(5-7)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18)
InChIKeyZHPQDJZJKURGBI-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

About 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 91926916) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID91926916
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C12H10F3N3/c1-7-3-2-4-8(5-7)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18)
InChIKeyZHPQDJZJKURGBI-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4-Phenylpyrimidine
CID 18923
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-phenylpyrimidine
CID 598777
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
4-Iodo-6-phenylpyrimidine
CID 817368

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 91926916) is 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cccc(-c2cc(C(F)(F)F)nc(N)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZHPQDJZJKURGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-3-2-4-8(5-7)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 91926916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).