2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C16H19FN4 — CID 80985427

IUPAC2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H19FN4/c1-9-8-12(6-7-13(9)17)19-15-10(2)14(18-3)20-16(21-15)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyRARZWINCRXDDPO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.90
Rot. Bonds4

About 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80985427) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80985427
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H19FN4/c1-9-8-12(6-7-13(9)17)19-15-10(2)14(18-3)20-16(21-15)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyRARZWINCRXDDPO-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977442
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978703

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80985427) is 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(Nc2ccc(F)c(C)c2)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is RARZWINCRXDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-9-8-12(6-7-13(9)17)19-15-10(2)14(18-3)20-16(21-15)11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).