1-pyrimidin-2-ylazetidin-3-ol;hydrochloride

C7H10ClN3O — CID 155858524

IUPAC1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(c2ncccn2)C1
InChIInChI=1S/C7H9N3O.ClH/c11-6-4-10(5-6)7-8-2-1-3-9-7;/h1-3,6,11H,4-5H2;1H
InChIKeyNXTRPQXURHZMPB-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.08
Rot. Bonds1

About 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride

1-pyrimidin-2-ylazetidin-3-ol;hydrochloride (PubChem CID 155858524) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
PubChem CID155858524
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(c2ncccn2)C1
InChIInChI=1S/C7H9N3O.ClH/c11-6-4-10(5-6)7-8-2-1-3-9-7;/h1-3,6,11H,4-5H2;1H
InChIKeyNXTRPQXURHZMPB-UHFFFAOYSA-N
XLogP0.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130659210
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1-pyrimidin-2-yl-4-(thian-4-yl)-1,4-diazepan-6-ol
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1-benzyl-4-pyrimidin-2-yl-1,4-diazepan-6-ol
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1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154340043
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
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1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
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CID 126900167

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride (CID 155858524) is 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride is Cl.OC1CN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride?
The InChIKey is NXTRPQXURHZMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c11-6-4-10(5-6)7-8-2-1-3-9-7;/h1-3,6,11H,4-5H2;1H.
What are the key properties of 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride?
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 155858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).