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

C9H13N3O — CID 105469286

IUPAC[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7/h1,3,7H,2,4-6,10H2
InChIKeyNMUVETZDBMWCRC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds2

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

[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine (PubChem CID 105469286) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
PubChem CID105469286
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7/h1,3,7H,2,4-6,10H2
InChIKeyNMUVETZDBMWCRC-UHFFFAOYSA-N
XLogP0.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
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?
The IUPAC name of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine (CID 105469286) is [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine is NCc1nccc(C2CCOC2)n1.
What is the InChIKey of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine?
The InChIKey is NMUVETZDBMWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-5-9-11-3-1-8(12-9)7-2-4-13-6-7/h1,3,7H,2,4-6,10H2.
What are the key properties of [4-(oxolan-3-yl)pyrimidin-2-yl]methanamine?
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine has a molecular weight of 179.22 g/mol, XLogP of 0.44, 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 is sourced from PubChem (CID 105469286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).