5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine

C12H12ClN3 — CID 62899049

IUPAC5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2Cl)c(N)n1
InChIInChI=1S/C12H12ClN3/c1-2-11-15-7-9(12(14)16-11)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyAGNHOVNLNDYFPA-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.94
Rot. Bonds2

About 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine

5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine (PubChem CID 62899049) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
PubChem CID62899049
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2Cl)c(N)n1
InChIInChI=1S/C12H12ClN3/c1-2-11-15-7-9(12(14)16-11)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyAGNHOVNLNDYFPA-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine (CID 62899049) is 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine is CCc1ncc(-c2ccccc2Cl)c(N)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is AGNHOVNLNDYFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-2-11-15-7-9(12(14)16-11)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine?
5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 62899049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).