N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C9H9N5O3 — CID 64529437

IUPACN-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N5O3/c15-7(12-4-6-10-1-2-11-6)5-3-13-9(17)14-8(5)16/h1-3H,4H2,(H,10,11)(H,12,15)(H2,13,14,16,17)
InChIKeyNTCPWFHZQRGHSI-UHFFFAOYSA-N
MW235.20 g/mol
LogP-1.28
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 64529437) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID64529437
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N5O3/c15-7(12-4-6-10-1-2-11-6)5-3-13-9(17)14-8(5)16/h1-3H,4H2,(H,10,11)(H,12,15)(H2,13,14,16,17)
InChIKeyNTCPWFHZQRGHSI-UHFFFAOYSA-N
XLogP-1.28
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 64529437) is N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCc1ncc[nH]1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NTCPWFHZQRGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-7(12-4-6-10-1-2-11-6)5-3-13-9(17)14-8(5)16/h1-3H,4H2,(H,10,11)(H,12,15)(H2,13,14,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64529437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).