2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one

C14H14N6O2 — CID 135845406

IUPAC2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1nc(-c2nn[nH]n2)cc(=O)[nH]1
InChIInChI=1S/C14H14N6O2/c1-2-7-22-11-6-4-3-5-9(11)13-15-10(8-12(21)16-13)14-17-19-20-18-14/h3-6,8H,2,7H2,1H3,(H,15,16,21)(H,17,18,19,20)
InChIKeyPESXVJVKMBJYFT-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.41
Rot. Bonds5

About 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one

2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 135845406) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
PubChem CID135845406
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1nc(-c2nn[nH]n2)cc(=O)[nH]1
InChIInChI=1S/C14H14N6O2/c1-2-7-22-11-6-4-3-5-9(11)13-15-10(8-12(21)16-13)14-17-19-20-18-14/h3-6,8H,2,7H2,1H3,(H,15,16,21)(H,17,18,19,20)
InChIKeyPESXVJVKMBJYFT-UHFFFAOYSA-N
XLogP1.41
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135840381
3-methyl-8-(2-propoxyphenyl)-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135788365
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one (CID 135845406) is 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one is CCCOc1ccccc1-c1nc(-c2nn[nH]n2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is PESXVJVKMBJYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-2-7-22-11-6-4-3-5-9(11)13-15-10(8-12(21)16-13)14-17-19-20-18-14/h3-6,8H,2,7H2,1H3,(H,15,16,21)(H,17,18,19,20).
What are the key properties of 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one?
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 298.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135845406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).