N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide

C12H12N4O3 — CID 135468800

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1
InChIInChI=1S/C12H12N4O3/c1-19-8-4-2-7(3-5-8)11(17)16-9-10(13)14-6-15-12(9)18/h2-6H,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyLVFBLAUEYLSCQD-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.61
Rot. Bonds3

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide (PubChem CID 135468800) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide
PubChem CID135468800
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1
InChIInChI=1S/C12H12N4O3/c1-19-8-4-2-7(3-5-8)11(17)16-9-10(13)14-6-15-12(9)18/h2-6H,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyLVFBLAUEYLSCQD-UHFFFAOYSA-N
XLogP0.61
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide (CID 135468800) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide?
The InChIKey is LVFBLAUEYLSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-8-4-2-7(3-5-8)11(17)16-9-10(13)14-6-15-12(9)18/h2-6H,1H3,(H,16,17)(H3,13,14,15,18).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide has a molecular weight of 260.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 135468800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).