1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide

C12H16N6O3 — CID 107625841

IUPAC1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H16N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-6-18(4-3-13)7-14-8/h5-7H,3-4,13H2,1-2H3,(H,15,16,17,19)
InChIKeyHUIBITYBZCMZCR-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.10
Rot. Bonds6

About 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide (PubChem CID 107625841) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
PubChem CID107625841
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H16N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-6-18(4-3-13)7-14-8/h5-7H,3-4,13H2,1-2H3,(H,15,16,17,19)
InChIKeyHUIBITYBZCMZCR-UHFFFAOYSA-N
XLogP-0.10
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
1-(2-aminoethyl)-N-(5-bromo-2-methoxyphenyl)imidazole-4-carboxamide
CID 107497941
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
CID 107499798
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
CID 107496194
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 107499624
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide (CID 107625841) is 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide is COc1cc(OC)nc(NC(=O)c2cn(CCN)cn2)n1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide?
The InChIKey is HUIBITYBZCMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-6-18(4-3-13)7-14-8/h5-7H,3-4,13H2,1-2H3,(H,15,16,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide has a molecular weight of 292.30 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107625841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).