1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide

C10H11ClN6O — CID 107499822

IUPAC1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H11ClN6O/c11-10-13-3-1-8(16-10)15-9(18)7-5-17(4-2-12)6-14-7/h1,3,5-6H,2,4,12H2,(H,13,15,16,18)
InChIKeyAVESLMHZYANNLU-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.54
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 107499822) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID107499822
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H11ClN6O/c11-10-13-3-1-8(16-10)15-9(18)7-5-17(4-2-12)6-14-7/h1,3,5-6H,2,4,12H2,(H,13,15,16,18)
InChIKeyAVESLMHZYANNLU-UHFFFAOYSA-N
XLogP0.54
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide (CID 107499822) is 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2ccnc(Cl)n2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is AVESLMHZYANNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O/c11-10-13-3-1-8(16-10)15-9(18)7-5-17(4-2-12)6-14-7/h1,3,5-6H,2,4,12H2,(H,13,15,16,18).
What are the key properties of 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 266.69 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).