2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one

C19H20N4O — CID 136778987

IUPAC2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(Nc2ccc(Nc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O/c1-13(2)17-12-18(24)23-19(22-17)21-16-10-8-15(9-11-16)20-14-6-4-3-5-7-14/h3-13,20H,1-2H3,(H2,21,22,23,24)
InChIKeyOHHIYSZKCKZUCJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.38
Rot. Bonds5

About 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one

2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136778987) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136778987
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(Nc2ccc(Nc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O/c1-13(2)17-12-18(24)23-19(22-17)21-16-10-8-15(9-11-16)20-14-6-4-3-5-7-14/h3-13,20H,1-2H3,(H2,21,22,23,24)
InChIKeyOHHIYSZKCKZUCJ-UHFFFAOYSA-N
XLogP4.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136778987) is 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(Nc2ccc(Nc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OHHIYSZKCKZUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(2)17-12-18(24)23-19(22-17)21-16-10-8-15(9-11-16)20-14-6-4-3-5-7-14/h3-13,20H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 320.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136778987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).