[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride

C9H14ClN3O — CID 105469285

IUPAC[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O.ClH/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7;/h1,3,7H,2,4-6,10H2;1H
InChIKeyREABFMYNSRAWDK-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.86
Rot. Bonds2

About [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride

[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride (PubChem CID 105469285) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
PubChem CID105469285
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O.ClH/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7;/h1,3,7H,2,4-6,10H2;1H
InChIKeyREABFMYNSRAWDK-UHFFFAOYSA-N
XLogP0.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride (CID 105469285) is [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride is Cl.NCc1nccc(C2CCOC2)n1.
What is the InChIKey of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride?
The InChIKey is REABFMYNSRAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7;/h1,3,7H,2,4-6,10H2;1H.
What are the key properties of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride?
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 105469285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).