[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine

C13H22N4O — CID 116640271

IUPAC[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
SMILESCOc1ncnc(N2CCCCCC2CN)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(15-9-16-13(10)18-2)17-7-5-3-4-6-11(17)8-14/h9,11H,3-8,14H2,1-2H3
InChIKeyWTLJMPQPZQTHEC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.50
Rot. Bonds3

About [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine

[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine (PubChem CID 116640271) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
PubChem CID116640271
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
SMILESCOc1ncnc(N2CCCCCC2CN)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(15-9-16-13(10)18-2)17-7-5-3-4-6-11(17)8-14/h9,11H,3-8,14H2,1-2H3
InChIKeyWTLJMPQPZQTHEC-UHFFFAOYSA-N
XLogP1.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 66331951
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 66325720
4-[2-(bromomethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 80675882
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162
[1-(6-methoxy-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116636958
[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
CID 116634054
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66331952

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine?
The IUPAC name of [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine (CID 116640271) is [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine is COc1ncnc(N2CCCCCC2CN)c1C.
What is the InChIKey of [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine?
The InChIKey is WTLJMPQPZQTHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(15-9-16-13(10)18-2)17-7-5-3-4-6-11(17)8-14/h9,11H,3-8,14H2,1-2H3.
What are the key properties of [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine?
[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).