2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine

C16H19FN4 — CID 80962039

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cccc(F)c2C)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-3-18-14-9-15(21-16(20-14)11-7-8-11)19-13-6-4-5-12(17)10(13)2/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyBUPUBGFHKQGBAR-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.98
Rot. Bonds5

About 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80962039) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80962039
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cccc(F)c2C)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-3-18-14-9-15(21-16(20-14)11-7-8-11)19-13-6-4-5-12(17)10(13)2/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyBUPUBGFHKQGBAR-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80960789

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine (CID 80962039) is 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine is CCNc1cc(Nc2cccc(F)c2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is BUPUBGFHKQGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-3-18-14-9-15(21-16(20-14)11-7-8-11)19-13-6-4-5-12(17)10(13)2/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80962039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).