4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

C11H12N6O — CID 135972422

IUPAC4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCCc2cnc[nH]2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H12N6O/c1-7-16-10(9(4-12)11(18)17-7)14-3-2-8-5-13-6-15-8/h5-6H,2-3H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyKZQLDARGQRTWJU-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.33
Rot. Bonds4

About 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135972422) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135972422
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCCc2cnc[nH]2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H12N6O/c1-7-16-10(9(4-12)11(18)17-7)14-3-2-8-5-13-6-15-8/h5-6H,2-3H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyKZQLDARGQRTWJU-UHFFFAOYSA-N
XLogP0.33
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-(1H-Imidazol-5-yl)ethyl)-3-methylbutanamide
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Glycylhistamine
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Glycylglycylhistamine
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N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
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Carcininium
CID 6951075

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135972422) is 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is Cc1nc(NCCc2cnc[nH]2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is KZQLDARGQRTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-16-10(9(4-12)11(18)17-7)14-3-2-8-5-13-6-15-8/h5-6H,2-3H2,1H3,(H,13,15)(H2,14,16,17,18).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135972422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).