[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine

C10H17N3O — CID 116731217

IUPAC[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
SMILESCCCC(OC)c1ncc(CN)cn1
InChIInChI=1S/C10H17N3O/c1-3-4-9(14-2)10-12-6-8(5-11)7-13-10/h6-7,9H,3-5,11H2,1-2H3
InChIKeyLZMJJDSBWYKSDP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.42
Rot. Bonds5

About [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine

[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine (PubChem CID 116731217) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
PubChem CID116731217
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
SMILESCCCC(OC)c1ncc(CN)cn1
InChIInChI=1S/C10H17N3O/c1-3-4-9(14-2)10-12-6-8(5-11)7-13-10/h6-7,9H,3-5,11H2,1-2H3
InChIKeyLZMJJDSBWYKSDP-UHFFFAOYSA-N
XLogP1.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine (CID 116731217) is [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine is CCCC(OC)c1ncc(CN)cn1.
What is the InChIKey of [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine?
The InChIKey is LZMJJDSBWYKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-9(14-2)10-12-6-8(5-11)7-13-10/h6-7,9H,3-5,11H2,1-2H3.
What are the key properties of [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine?
[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxybutyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 116731217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).