N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H13N5O3 — CID 71795139

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C11H13N5O3/c1-7-4-9(17)16(6-14-7)3-2-12-10(18)8-5-13-11(19)15-8/h4-6H,2-3H2,1H3,(H,12,18)(H2,13,15,19)
InChIKeyQKEWHWOINHVZON-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.00
Rot. Bonds4

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 71795139) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID71795139
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C11H13N5O3/c1-7-4-9(17)16(6-14-7)3-2-12-10(18)8-5-13-11(19)15-8/h4-6H,2-3H2,1H3,(H,12,18)(H2,13,15,19)
InChIKeyQKEWHWOINHVZON-UHFFFAOYSA-N
XLogP-1.00
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 71795139) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is Cc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)[nH]2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QKEWHWOINHVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-4-9(17)16(6-14-7)3-2-12-10(18)8-5-13-11(19)15-8/h4-6H,2-3H2,1H3,(H,12,18)(H2,13,15,19).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 71795139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).