2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one

C17H23N3O — CID 136779252

IUPAC2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(Nc2nc(C(C)C)cc(=O)[nH]2)ccc1C(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)14-7-6-13(8-12(14)5)18-17-19-15(11(3)4)9-16(21)20-17/h6-11H,1-5H3,(H2,18,19,20,21)
InChIKeyYDBBVHXTPBZYMT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one

2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136779252) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136779252
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(Nc2nc(C(C)C)cc(=O)[nH]2)ccc1C(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)14-7-6-13(8-12(14)5)18-17-19-15(11(3)4)9-16(21)20-17/h6-11H,1-5H3,(H2,18,19,20,21)
InChIKeyYDBBVHXTPBZYMT-UHFFFAOYSA-N
XLogP4.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136779252) is 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(Nc2nc(C(C)C)cc(=O)[nH]2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YDBBVHXTPBZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10(2)14-7-6-13(8-12(14)5)18-17-19-15(11(3)4)9-16(21)20-17/h6-11H,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 285.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).