2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O3 — CID 136963634

IUPAC2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(5-7-18-8-6-14)13-15-11(10(2)3)9-12(17)16-13/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyURCWLSXXDGBEFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963634) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963634
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(5-7-18-8-6-14)13-15-11(10(2)3)9-12(17)16-13/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyURCWLSXXDGBEFG-UHFFFAOYSA-N
XLogP1.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136960396
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909
4-tert-butyl-2-(4-ethoxyoxan-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136963943
2-(4-ethoxyoxan-4-yl)-1H-imidazole-5-carbaldehyde
CID 116782023
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963992
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017835
2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136963634) is 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is URCWLSXXDGBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(5-7-18-8-6-14)13-15-11(10(2)3)9-12(17)16-13/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).