N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide

C12H11N3O3 — CID 3159467

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O3/c1-7-3-2-4-8(5-7)10(16)14-9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyHWTZMKYHWDUOPF-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.62
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide (PubChem CID 3159467) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide
PubChem CID3159467
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O3/c1-7-3-2-4-8(5-7)10(16)14-9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyHWTZMKYHWDUOPF-UHFFFAOYSA-N
XLogP0.62
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide (CID 3159467) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide?
The InChIKey is HWTZMKYHWDUOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-3-2-4-8(5-7)10(16)14-9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide has a molecular weight of 245.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbenzamide is sourced from PubChem (CID 3159467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).