6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine

C15H15ClFN3 — CID 80953931

IUPAC6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-2-6-12(17)7-3-10)14-8-13(16)18-15(19-14)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyUZBWLUZGCIPKPL-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.78
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 80953931) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID80953931
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-2-6-12(17)7-3-10)14-8-13(16)18-15(19-14)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyUZBWLUZGCIPKPL-UHFFFAOYSA-N
XLogP3.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine (CID 80953931) is 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine is CN(Cc1ccc(F)cc1)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is UZBWLUZGCIPKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-20(9-10-2-6-12(17)7-3-10)14-8-13(16)18-15(19-14)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80953931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).