2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one

C16H21N3O — CID 136957217

IUPAC2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(C)CCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O/c1-12-17-14(11-15(20)18-12)19-16(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBFXQLNDXMUVNBI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds5

About 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957217) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957217
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(C)CCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O/c1-12-17-14(11-15(20)18-12)19-16(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBFXQLNDXMUVNBI-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957217) is 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC(C)(C)CCc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is BFXQLNDXMUVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-17-14(11-15(20)18-12)19-16(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 271.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).