2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C12H20N4O — CID 113401270

IUPAC2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(7-9)12-6-10(13)14-11(15-12)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyOKOZFJQSIRGMMF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds3

About 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 113401270) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID113401270
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(7-9)12-6-10(13)14-11(15-12)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyOKOZFJQSIRGMMF-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 113401270) is 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COCc1nc(N)cc(N2CCCC(C)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is OKOZFJQSIRGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-4-3-5-16(7-9)12-6-10(13)14-11(15-12)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 113401270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).