2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one

C11H11N3O2 — CID 135764112

IUPAC2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c1-7-5-10(16)14-11(12-7)13-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H2,12,13,14,16)
InChIKeyBTTNKEBBLIHCJG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds2

About 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one

2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135764112) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135764112
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c1-7-5-10(16)14-11(12-7)13-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H2,12,13,14,16)
InChIKeyBTTNKEBBLIHCJG-UHFFFAOYSA-N
XLogP1.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one (CID 135764112) is 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2cccc(O)c2)n1.
What is the InChIKey of 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BTTNKEBBLIHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-5-10(16)14-11(12-7)13-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H2,12,13,14,16).
What are the key properties of 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one?
2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135764112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).