2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine

C13H11ClFN3 — CID 114207231

IUPAC2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine
SMILESNc1cnc(-c2ccc(F)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H11ClFN3/c14-9-5-8(3-4-10(9)15)13-17-6-11(16)12(18-13)7-1-2-7/h3-7H,1-2,16H2
InChIKeyQANXTPAFNSIOSQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.40
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine

2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine (PubChem CID 114207231) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine
PubChem CID114207231
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine
SMILESNc1cnc(-c2ccc(F)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H11ClFN3/c14-9-5-8(3-4-10(9)15)13-17-6-11(16)12(18-13)7-1-2-7/h3-7H,1-2,16H2
InChIKeyQANXTPAFNSIOSQ-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.40
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)-4-cyclopropylpyrimidin-5-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine (CID 114207231) is 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine is Nc1cnc(-c2ccc(F)c(Cl)c2)nc1C1CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine?
The InChIKey is QANXTPAFNSIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3/c14-9-5-8(3-4-10(9)15)13-17-6-11(16)12(18-13)7-1-2-7/h3-7H,1-2,16H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine?
2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine has a molecular weight of 263.70 g/mol, XLogP of 3.40, 2 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)-4-cyclopropylpyrimidin-5-amine is sourced from PubChem (CID 114207231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).