2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one

C10H16N2O2 — CID 14279697

IUPAC2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(C(C)(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-5-14-8-6-7(13)11-9(12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyNPBNBGNSAVIGFV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.47
Rot. Bonds2

About 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one

2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one (PubChem CID 14279697) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
PubChem CID14279697
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(C(C)(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-5-14-8-6-7(13)11-9(12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyNPBNBGNSAVIGFV-UHFFFAOYSA-N
XLogP1.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one (CID 14279697) is 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is NPBNBGNSAVIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-14-8-6-7(13)11-9(12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one?
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 14279697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).