[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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Related Compounds

[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102784013
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
CID 105367345
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
[4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83095664
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine
CID 154793413
4-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 66318975
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370

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).