2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one

C15H16N6O2 — CID 135840381

IUPAC2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCCC(C)Oc1ccccc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-3-9(2)23-12-7-5-4-6-10(12)13-16-8-11(15(22)17-13)14-18-20-21-19-14/h4-9H,3H2,1-2H3,(H,16,17,22)(H,18,19,20,21)
InChIKeyFXYFCHIWHHJQLC-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one

2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 135840381) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
PubChem CID135840381
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCCC(C)Oc1ccccc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-3-9(2)23-12-7-5-4-6-10(12)13-16-8-11(15(22)17-13)14-18-20-21-19-14/h4-9H,3H2,1-2H3,(H,16,17,22)(H,18,19,20,21)
InChIKeyFXYFCHIWHHJQLC-UHFFFAOYSA-N
XLogP1.79
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one (CID 135840381) is 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one is CCC(C)Oc1ccccc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is FXYFCHIWHHJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-9(2)23-12-7-5-4-6-10(12)13-16-8-11(15(22)17-13)14-18-20-21-19-14/h4-9H,3H2,1-2H3,(H,16,17,22)(H,18,19,20,21).
What are the key properties of 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 312.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135840381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).