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

C17H16N4O2 — CID 177376296

IUPAC4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNc2ccccc2)nc(Nc2cccc(O)c2)[nH]1
InChIInChI=1S/C17H16N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h1-10,18,22H,11H2,(H2,19,20,21,23)
InChIKeyZEOPRZOJWLROLL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.83
Rot. Bonds5

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

4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (PubChem CID 177376296) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
PubChem CID177376296
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNc2ccccc2)nc(Nc2cccc(O)c2)[nH]1
InChIInChI=1S/C17H16N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h1-10,18,22H,11H2,(H2,19,20,21,23)
InChIKeyZEOPRZOJWLROLL-UHFFFAOYSA-N
XLogP2.83
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (CID 177376296) is 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is O=c1cc(CNc2ccccc2)nc(Nc2cccc(O)c2)[nH]1.
What is the InChIKey of 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The InChIKey is ZEOPRZOJWLROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h1-10,18,22H,11H2,(H2,19,20,21,23).
What are the key properties of 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one has a molecular weight of 308.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 177376296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).