6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine

C13H10ClF2N3 — CID 80948296

IUPAC6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1F
InChIInChI=1S/C13H10ClF2N3/c14-11-6-12(19-13(18-11)7-1-2-7)17-8-3-4-9(15)10(16)5-8/h3-7H,1-2H2,(H,17,18,19)
InChIKeyJZMASDMQKPDFKW-UHFFFAOYSA-N
MW281.69 g/mol
LogP4.03
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine (PubChem CID 80948296) has the molecular formula C13H10ClF2N3 and a molecular weight of 281.69 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
PubChem CID80948296
Molecular FormulaC13H10ClF2N3
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1F
InChIInChI=1S/C13H10ClF2N3/c14-11-6-12(19-13(18-11)7-1-2-7)17-8-3-4-9(15)10(16)5-8/h3-7H,1-2H2,(H,17,18,19)
InChIKeyJZMASDMQKPDFKW-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133421758
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
6-chloro-N-(3,4-difluorophenyl)pyridazin-3-amine
CID 43151751
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine (CID 80948296) is 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine is Fc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1F.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The InChIKey is JZMASDMQKPDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3/c14-11-6-12(19-13(18-11)7-1-2-7)17-8-3-4-9(15)10(16)5-8/h3-7H,1-2H2,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine has a molecular weight of 281.69 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80948296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).