4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one

C11H20N2O — CID 123926240

IUPAC4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
SMILESCCCC1=NC(C)(C(C)C)CC(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-6-9-12-10(14)7-11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVUMKDFNBNNQVBF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one

4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one (PubChem CID 123926240) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
PubChem CID123926240
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
SMILESCCCC1=NC(C)(C(C)C)CC(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-6-9-12-10(14)7-11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVUMKDFNBNNQVBF-UHFFFAOYSA-N
XLogP2.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one;hydrochloride
CID 21750210
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
4-Tert-butyl-5-tert-butyliminopyrrolidin-2-one
CID 136028102
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
CID 74447507
2-(2-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998166
2-(3-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998269
2-(2-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998276
2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998321
2-(3-aminopentan-3-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one?
The IUPAC name of 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one (CID 123926240) is 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one is CCCC1=NC(C)(C(C)C)CC(=O)N1.
What is the InChIKey of 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one?
The InChIKey is VUMKDFNBNNQVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-9-12-10(14)7-11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one?
4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one has a molecular weight of 196.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123926240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).