[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine

C13H16N4O — CID 107542547

IUPAC[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-10-8-12(9-14)17-13(16-10)18-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9,14H2,1H3
InChIKeyLVNXQCLURUWXSN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.26
Rot. Bonds5

About [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine

[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542547) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
PubChem CID107542547
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-10-8-12(9-14)17-13(16-10)18-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9,14H2,1H3
InChIKeyLVNXQCLURUWXSN-UHFFFAOYSA-N
XLogP1.26
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine (CID 107542547) is [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine is Cc1cc(CN)nc(OCCc2ccccn2)n1.
What is the InChIKey of [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is LVNXQCLURUWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-8-12(9-14)17-13(16-10)18-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9,14H2,1H3.
What are the key properties of [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine?
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 244.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).