2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine

C15H15F2N3 — CID 80952411

IUPAC2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C15H15F2N3/c1-2-18-14-8-13(19-15(20-14)9-3-4-9)11-7-10(16)5-6-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyNQWXMSJOMXAZRH-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.73
Rot. Bonds4

About 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 80952411) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID80952411
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C15H15F2N3/c1-2-18-14-8-13(19-15(20-14)9-3-4-9)11-7-10(16)5-6-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyNQWXMSJOMXAZRH-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 80948713
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine (CID 80952411) is 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(-c2cc(F)ccc2F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is NQWXMSJOMXAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-2-18-14-8-13(19-15(20-14)9-3-4-9)11-7-10(16)5-6-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80952411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).