2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine

C16H18FN3 — CID 80975820

IUPAC2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H18FN3/c1-9-8-12(6-7-13(9)17)14-10(2)15(18-3)20-16(19-14)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDHRFAEPTOGABGG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.82
Rot. Bonds3

About 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80975820) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80975820
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H18FN3/c1-9-8-12(6-7-13(9)17)14-10(2)15(18-3)20-16(19-14)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDHRFAEPTOGABGG-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978703
2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80985427
2-cyclopropyl-N,5-dimethyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975742
2-cyclopropyl-N,5-dimethyl-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80977389
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
6-cyclopropyl-5-(4-fluoro-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 177181270
2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502731
2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80977815
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977442

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80975820) is 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(-c2ccc(F)c(C)c2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is DHRFAEPTOGABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-9-8-12(6-7-13(9)17)14-10(2)15(18-3)20-16(19-14)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80975820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).