2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C11H11N3O2 — CID 135648979

IUPAC2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)9-6-10(15)14-11(12)13-9/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyRHUOPLLLMLLDEH-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.03
Rot. Bonds2

About 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135648979) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135648979
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)9-6-10(15)14-11(12)13-9/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyRHUOPLLLMLLDEH-UHFFFAOYSA-N
XLogP1.03
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 135648979) is 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is RHUOPLLLMLLDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)9-6-10(15)14-11(12)13-9/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135648979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).