6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16ClN3 — CID 80952474

IUPAC6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3/c1-2-17-14-9-13(11-4-3-5-12(16)8-11)18-15(19-14)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyVINONVOUCXRIMX-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.11
Rot. Bonds4

About 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80952474) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80952474
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3/c1-2-17-14-9-13(11-4-3-5-12(16)8-11)18-15(19-14)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyVINONVOUCXRIMX-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63050054
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495
2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 80952396

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80952474) is 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(-c2cccc(Cl)c2)nc(C2CC2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is VINONVOUCXRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-17-14-9-13(11-4-3-5-12(16)8-11)18-15(19-14)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80952474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).