4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate

C7H14N4O3 — CID 139075096

IUPAC4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate
SMILESCc1cc(C)[nH]c(=O)n1.NC(N)=O.O
InChIInChI=1S/C6H8N2O.CH4N2O.H2O/c1-4-3-5(2)8-6(9)7-4;2-1(3)4;/h3H,1-2H3,(H,7,8,9);(H4,2,3,4);1H2
InChIKeyIADWYVSFOHPSKU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.41
Rot. Bonds

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

4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate (PubChem CID 139075096) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate
PubChem CID139075096
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate
SMILESCc1cc(C)[nH]c(=O)n1.NC(N)=O.O
InChIInChI=1S/C6H8N2O.CH4N2O.H2O/c1-4-3-5(2)8-6(9)7-4;2-1(3)4;/h3H,1-2H3,(H,7,8,9);(H4,2,3,4);1H2
InChIKeyIADWYVSFOHPSKU-UHFFFAOYSA-N
XLogP-1.41
TPSA146.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate?
The IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate (CID 139075096) is 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate.
What is the SMILES notation for 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate?
The canonical SMILES for 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate is Cc1cc(C)[nH]c(=O)n1.NC(N)=O.O.
What is the InChIKey of 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate?
The InChIKey is IADWYVSFOHPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.CH4N2O.H2O/c1-4-3-5(2)8-6(9)7-4;2-1(3)4;/h3H,1-2H3,(H,7,8,9);(H4,2,3,4);1H2.
What are the key properties of 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate?
4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate has a molecular weight of 202.21 g/mol, XLogP of -1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrimidin-2-one;urea;hydrate is sourced from PubChem (CID 139075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).