4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

C12H12N4O4 — CID 152778061

IUPAC4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(N)c(N=O)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H12N4O4/c1-19-6-3-4-7(8(5-6)20-2)11-14-10(13)9(16-18)12(17)15-11/h3-5H,1-2H3,(H3,13,14,15,17)
InChIKeyTZSYEFOLZXFBTB-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.43
Rot. Bonds4

About 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 152778061) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
PubChem CID152778061
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(N)c(N=O)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H12N4O4/c1-19-6-3-4-7(8(5-6)20-2)11-14-10(13)9(16-18)12(17)15-11/h3-5H,1-2H3,(H3,13,14,15,17)
InChIKeyTZSYEFOLZXFBTB-UHFFFAOYSA-N
XLogP1.43
TPSA119.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (CID 152778061) is 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is COc1ccc(-c2nc(N)c(N=O)c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is TZSYEFOLZXFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-19-6-3-4-7(8(5-6)20-2)11-14-10(13)9(16-18)12(17)15-11/h3-5H,1-2H3,(H3,13,14,15,17).
What are the key properties of 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 276.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 152778061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).