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

C11H17N3O2 — CID 107542654

IUPAC[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-8-4-10(5-12)14-11(13-8)16-7-9-2-3-15-6-9/h4,9H,2-3,5-7,12H2,1H3
InChIKeyAQPMLZVZKXHBIQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.66
Rot. Bonds4

About [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine

[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542654) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
PubChem CID107542654
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-8-4-10(5-12)14-11(13-8)16-7-9-2-3-15-6-9/h4,9H,2-3,5-7,12H2,1H3
InChIKeyAQPMLZVZKXHBIQ-UHFFFAOYSA-N
XLogP0.66
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine (CID 107542654) is [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine is Cc1cc(CN)nc(OCC2CCOC2)n1.
What is the InChIKey of [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is AQPMLZVZKXHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-10(5-12)14-11(13-8)16-7-9-2-3-15-6-9/h4,9H,2-3,5-7,12H2,1H3.
What are the key properties of [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine?
[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).