6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine

C13H9Cl3FN3 — CID 107576837

IUPAC6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2cc(Cl)nc(C3CC3)n2)cc1Cl
InChIInChI=1S/C13H9Cl3FN3/c14-8-3-7(4-9(15)12(8)17)18-11-5-10(16)19-13(20-11)6-1-2-6/h3-6H,1-2H2,(H,18,19,20)
InChIKeyJWJDDPCQEYAQOF-UHFFFAOYSA-N
MW332.59 g/mol
LogP5.20
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 107576837) has the molecular formula C13H9Cl3FN3 and a molecular weight of 332.59 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID107576837
Molecular FormulaC13H9Cl3FN3
Molecular Weight332.59 g/mol
Exact Mass330.98
IUPAC Name6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2cc(Cl)nc(C3CC3)n2)cc1Cl
InChIInChI=1S/C13H9Cl3FN3/c14-8-3-7(4-9(15)12(8)17)18-11-5-10(16)19-13(20-11)6-1-2-6/h3-6H,1-2H2,(H,18,19,20)
InChIKeyJWJDDPCQEYAQOF-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.59
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-N-(3,5-dichloro-4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107580777
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133421758
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine (CID 107576837) is 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine is Fc1c(Cl)cc(Nc2cc(Cl)nc(C3CC3)n2)cc1Cl.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is JWJDDPCQEYAQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN3/c14-8-3-7(4-9(15)12(8)17)18-11-5-10(16)19-13(20-11)6-1-2-6/h3-6H,1-2H2,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 332.59 g/mol, XLogP of 5.20, 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-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 107576837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).