N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide

C12H15N5O2 — CID 56759969

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ncc[nH]2)c(=O)n1
InChIInChI=1S/C12H15N5O2/c1-8-7-9(2)17(12(19)16-8)6-5-15-11(18)10-13-3-4-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyGRROJYWXOQEJDF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.01
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide (PubChem CID 56759969) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide
PubChem CID56759969
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ncc[nH]2)c(=O)n1
InChIInChI=1S/C12H15N5O2/c1-8-7-9(2)17(12(19)16-8)6-5-15-11(18)10-13-3-4-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyGRROJYWXOQEJDF-UHFFFAOYSA-N
XLogP0.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide (CID 56759969) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide is Cc1cc(C)n(CCNC(=O)c2ncc[nH]2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide?
The InChIKey is GRROJYWXOQEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-7-9(2)17(12(19)16-8)6-5-15-11(18)10-13-3-4-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56759969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).