4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine

C15H15ClN6 — CID 22273481

IUPAC4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESNCCn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)20-15-19-6-4-13(21-15)14-9-18-10-22(14)7-5-17/h1-4,6,8-10H,5,7,17H2,(H,19,20,21)
InChIKeyMUIGUCQQCWKTFW-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.70
Rot. Bonds5

About 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine

4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine (PubChem CID 22273481) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
PubChem CID22273481
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESNCCn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)20-15-19-6-4-13(21-15)14-9-18-10-22(14)7-5-17/h1-4,6,8-10H,5,7,17H2,(H,19,20,21)
InChIKeyMUIGUCQQCWKTFW-UHFFFAOYSA-N
XLogP2.70
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine (CID 22273481) is 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine is NCCn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine?
The InChIKey is MUIGUCQQCWKTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)20-15-19-6-4-13(21-15)14-9-18-10-22(14)7-5-17/h1-4,6,8-10H,5,7,17H2,(H,19,20,21).
What are the key properties of 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine?
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine has a molecular weight of 314.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 22273481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).