N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide

C9H11N5O2 — CID 136600306

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)N2C=NCC2)n1
InChIInChI=1S/C9H11N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h4-5H,2-3H2,1H3,(H2,11,12,13,15,16)
InChIKeyMLAZHUCPUYADDK-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.05
Rot. Bonds1

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 136600306) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide
PubChem CID136600306
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)N2C=NCC2)n1
InChIInChI=1S/C9H11N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h4-5H,2-3H2,1H3,(H2,11,12,13,15,16)
InChIKeyMLAZHUCPUYADDK-UHFFFAOYSA-N
XLogP-0.05
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide (CID 136600306) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide is Cc1cc(=O)[nH]c(NC(=O)N2C=NCC2)n1.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is MLAZHUCPUYADDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h4-5H,2-3H2,1H3,(H2,11,12,13,15,16).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide?
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 136600306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).