2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C9H14N2O2 — CID 63613803

IUPAC2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-4-6-10-8(12)7(5(2)3)9(13)11-6/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyNNEIJCYCVCAVLH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.16
Rot. Bonds2

About 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63613803) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63613803
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-4-6-10-8(12)7(5(2)3)9(13)11-6/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyNNEIJCYCVCAVLH-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63613803) is 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NNEIJCYCVCAVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-6-10-8(12)7(5(2)3)9(13)11-6/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).