2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C14H13ClFN3 — CID 63354301

IUPAC2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H13ClFN3/c1-17-13-7-12(8-2-3-8)18-14(19-13)9-4-5-11(16)10(15)6-9/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyMFFOIEBHPUBROX-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63354301) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63354301
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H13ClFN3/c1-17-13-7-12(8-2-3-8)18-14(19-13)9-4-5-11(16)10(15)6-9/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyMFFOIEBHPUBROX-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63354301) is 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is MFFOIEBHPUBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-17-13-7-12(8-2-3-8)18-14(19-13)9-4-5-11(16)10(15)6-9/h4-8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 277.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).