2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one

C15H16N2O2 — CID 136692612

IUPAC2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccccc1-c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H16N2O2/c1-2-19-13-6-4-3-5-11(13)12-9-14(18)17-15(16-12)10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyUKTQRQIUCIJMOY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136692612) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136692612
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccccc1-c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H16N2O2/c1-2-19-13-6-4-3-5-11(13)12-9-14(18)17-15(16-12)10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyUKTQRQIUCIJMOY-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
2-[1-(2-ethoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136881771
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
2-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136881639
2-cyclopropyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692778
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one (CID 136692612) is 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one is CCOc1ccccc1-c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is UKTQRQIUCIJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-13-6-4-3-5-11(13)12-9-14(18)17-15(16-12)10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).