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

C16H17ClFN3 — CID 63486675

IUPAC2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H17ClFN3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-13(18)12(17)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21)
InChIKeyVUUUJRJEPYGMBW-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.64
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine (PubChem CID 63486675) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
PubChem CID63486675
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H17ClFN3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-13(18)12(17)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21)
InChIKeyVUUUJRJEPYGMBW-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354301
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63481714
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine (CID 63486675) is 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The InChIKey is VUUUJRJEPYGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-2-7-19-15-9-14(10-3-4-10)20-16(21-15)11-5-6-13(18)12(17)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine has a molecular weight of 305.78 g/mol, XLogP of 4.64, 5 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-propylpyrimidin-4-amine is sourced from PubChem (CID 63486675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).