2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one

C10H16N2O2 — CID 45117379

IUPAC2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-14-9-6-8(13)11-10(12-9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyYNFREXXADPEHDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.68
Rot. Bonds4

About 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one

2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one (PubChem CID 45117379) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one
PubChem CID45117379
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-14-9-6-8(13)11-10(12-9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyYNFREXXADPEHDG-UHFFFAOYSA-N
XLogP1.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one (CID 45117379) is 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is YNFREXXADPEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-14-9-6-8(13)11-10(12-9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one?
2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 45117379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).