2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine

C13H14FN3 — CID 55067572

IUPAC2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ccc(F)cc1-c1nc(C)c(C)c(N)n1
InChIInChI=1S/C13H14FN3/c1-7-4-5-10(14)6-11(7)13-16-9(3)8(2)12(15)17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeySOYKOVYLBVSZIL-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.79
Rot. Bonds1

About 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine

2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 55067572) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID55067572
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ccc(F)cc1-c1nc(C)c(C)c(N)n1
InChIInChI=1S/C13H14FN3/c1-7-4-5-10(14)6-11(7)13-16-9(3)8(2)12(15)17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeySOYKOVYLBVSZIL-UHFFFAOYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethamine
CID 4993
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4,6-Diphenylpyrimidin-2-amine
CID 619024
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine (CID 55067572) is 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine is Cc1ccc(F)cc1-c1nc(C)c(C)c(N)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is SOYKOVYLBVSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-7-4-5-10(14)6-11(7)13-16-9(3)8(2)12(15)17-13/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 231.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55067572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).