4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one

C9H14N2O2 — CID 135803823

IUPAC4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(OC(C)C)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-5(2)13-9-10-7(4)6(3)8(12)11-9/h5H,1-4H3,(H,10,11,12)
InChIKeyQYADZQMFNKBGAP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.17
Rot. Bonds2

About 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one

4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 135803823) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID135803823
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(OC(C)C)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-5(2)13-9-10-7(4)6(3)8(12)11-9/h5H,1-4H3,(H,10,11,12)
InChIKeyQYADZQMFNKBGAP-UHFFFAOYSA-N
XLogP1.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
5,6-Dimethyl-4-hydroxy-2-methoxypyrimidine
CID 135803836
4-fluoro-2-propan-2-yloxy-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 178643333
5-chloro-4-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
CID 135803824
5-bromo-4-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
CID 135803835
4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one
CID 137019361
6-Hydroxy-5-methyl-2-[(propan-2-yl)oxy]pyrimidin-4(3H)-one
CID 71390079
2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one
CID 137199813
2-butoxy-4,5-dimethyl-1H-pyrimidin-6-one
CID 137199814
2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one
CID 137199815

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one (CID 135803823) is 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one is Cc1nc(OC(C)C)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is QYADZQMFNKBGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)13-9-10-7(4)6(3)8(12)11-9/h5H,1-4H3,(H,10,11,12).
What are the key properties of 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135803823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).