[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine

C11H12N4O — CID 107542658

IUPAC[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine
SMILESCc1ccc(Oc2nccc(CN)n2)cn1
InChIInChI=1S/C11H12N4O/c1-8-2-3-10(7-14-8)16-11-13-5-4-9(6-12)15-11/h2-5,7H,6,12H2,1H3
InChIKeyWRPKVVONQQOFJE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.43
Rot. Bonds3

About [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine

[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine (PubChem CID 107542658) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine
PubChem CID107542658
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine
SMILESCc1ccc(Oc2nccc(CN)n2)cn1
InChIInChI=1S/C11H12N4O/c1-8-2-3-10(7-14-8)16-11-13-5-4-9(6-12)15-11/h2-5,7H,6,12H2,1H3
InChIKeyWRPKVVONQQOFJE-UHFFFAOYSA-N
XLogP1.43
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine (CID 107542658) is [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine is Cc1ccc(Oc2nccc(CN)n2)cn1.
What is the InChIKey of [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine?
The InChIKey is WRPKVVONQQOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-3-10(7-14-8)16-11-13-5-4-9(6-12)15-11/h2-5,7H,6,12H2,1H3.
What are the key properties of [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine?
[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine has a molecular weight of 216.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).