[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine

C12H20N4O — CID 66317614

IUPAC[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCOc1cc(N2CCCC(C)C2CN)ncn1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(10(9)7-13)11-6-12(17-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3
InChIKeyAYSRUEQRPYIBTL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds3

About [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine

[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 66317614) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
PubChem CID66317614
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCOc1cc(N2CCCC(C)C2CN)ncn1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(10(9)7-13)11-6-12(17-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3
InChIKeyAYSRUEQRPYIBTL-UHFFFAOYSA-N
XLogP1.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine (CID 66317614) is [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine is COc1cc(N2CCCC(C)C2CN)ncn1.
What is the InChIKey of [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is AYSRUEQRPYIBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-4-3-5-16(10(9)7-13)11-6-12(17-2)15-8-14-11/h6,8-10H,3-5,7,13H2,1-2H3.
What are the key properties of [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine?
[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 66317614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).