4,6-dimethyl-1H-pyrimidin-2-one;dihydrate

C6H12N2O3 — CID 20548799

IUPAC4,6-dimethyl-1H-pyrimidin-2-one;dihydrate
SMILESCc1cc(C)[nH]c(=O)n1.O.O
InChIInChI=1S/C6H8N2O.2H2O/c1-4-3-5(2)8-6(9)7-4;;/h3H,1-2H3,(H,7,8,9);2*1H2
InChIKeyPHZRQHNAFBQCPL-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.26
Rot. Bonds

About 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate

4,6-dimethyl-1H-pyrimidin-2-one;dihydrate (PubChem CID 20548799) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrimidin-2-one;dihydrate
PubChem CID20548799
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4,6-dimethyl-1H-pyrimidin-2-one;dihydrate
SMILESCc1cc(C)[nH]c(=O)n1.O.O
InChIInChI=1S/C6H8N2O.2H2O/c1-4-3-5(2)8-6(9)7-4;;/h3H,1-2H3,(H,7,8,9);2*1H2
InChIKeyPHZRQHNAFBQCPL-UHFFFAOYSA-N
XLogP-1.26
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4,6-dimethylpyrimidine
CID 9508
4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride
CID 12343166
4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
1-hydroxy-4,6-dimethyl-2(1H)-pyrimidinone
CID 15649414
4,6-Dimethylpyrimidin-2-ol sulfate
CID 294863
6-Methyl-2-oxo-1,2-dihydropyrimidine-4-carbonitrile
CID 17244521
(E)-2-Hydroxy-6-methylpyrimidine-4-carbaldehyde oxime
CID 135408715
4-Ethyl-2-pyrimidinol
CID 49758448
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172
Diallyl pyrimidinone
CID 129859956

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate?
The IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate (CID 20548799) is 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate.
What is the SMILES notation for 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate?
The canonical SMILES for 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate is Cc1cc(C)[nH]c(=O)n1.O.O.
What is the InChIKey of 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate?
The InChIKey is PHZRQHNAFBQCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2H2O/c1-4-3-5(2)8-6(9)7-4;;/h3H,1-2H3,(H,7,8,9);2*1H2.
What are the key properties of 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate?
4,6-dimethyl-1H-pyrimidin-2-one;dihydrate has a molecular weight of 160.17 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrimidin-2-one;dihydrate is sourced from PubChem (CID 20548799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).