2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one

C8H10N6O2 — CID 163228759

IUPAC2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one
SMILESC[C@@H](Cn1cnnn1)Oc1nccc(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-6(4-14-5-10-12-13-14)16-8-9-3-2-7(15)11-8/h2-3,5-6H,4H2,1H3,(H,9,11,15)/t6-/m0/s1
InChIKeyQKQWIAIHDOWRCL-LURJTMIESA-N
MW222.21 g/mol
LogP-0.78
Rot. Bonds4

About 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one

2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one (PubChem CID 163228759) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one
PubChem CID163228759
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one
SMILESC[C@@H](Cn1cnnn1)Oc1nccc(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-6(4-14-5-10-12-13-14)16-8-9-3-2-7(15)11-8/h2-3,5-6H,4H2,1H3,(H,9,11,15)/t6-/m0/s1
InChIKeyQKQWIAIHDOWRCL-LURJTMIESA-N
XLogP-0.78
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine
CID 163228785
(2R)-1-(tetrazol-1-yl)propan-2-ol
CID 130444903
6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 163228825
4-[2-methyl-3-(tetrazol-1-yl)propoxy]benzoic acid
CID 139364228
5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine
CID 146305090
molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one
CID 145188431
2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one
CID 45080108
4-oxo-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]-1H-pyridine-3-carbonitrile
CID 163228842
2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one
CID 151836726
5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-3-ylpyrimidin-2-amine
CID 146304885
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine
CID 146304876
4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 163228801

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one (CID 163228759) is 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one is C[C@@H](Cn1cnnn1)Oc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is QKQWIAIHDOWRCL-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N6O2/c1-6(4-14-5-10-12-13-14)16-8-9-3-2-7(15)11-8/h2-3,5-6H,4H2,1H3,(H,9,11,15)/t6-/m0/s1.
What are the key properties of 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one?
2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 222.21 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 163228759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).