2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C19H20N4O2 — CID 135612093

IUPAC2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C19H20N4O2/c1-13-17(11-12-24)18(25)23-19(20-13)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,21,24H,11-12H2,1H3,(H2,20,22,23,25)
InChIKeyCRYKKSXBFHPOCE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135612093) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135612093
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C19H20N4O2/c1-13-17(11-12-24)18(25)23-19(20-13)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,21,24H,11-12H2,1H3,(H2,20,22,23,25)
InChIKeyCRYKKSXBFHPOCE-UHFFFAOYSA-N
XLogP3.10
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135612093) is 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CRYKKSXBFHPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-17(11-12-24)18(25)23-19(20-13)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,21,24H,11-12H2,1H3,(H2,20,22,23,25).
What are the key properties of 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 336.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135612093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).