6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

C12H20N4O — CID 106590145

IUPAC6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC(COC)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-6-12(15-9-14-11)16-5-3-4-10(7-16)8-17-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyKOBDIMRSDYMGSX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds4

About 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 106590145) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID106590145
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC(COC)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-6-12(15-9-14-11)16-5-3-4-10(7-16)8-17-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyKOBDIMRSDYMGSX-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806713
5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 95103177
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
6-[4-(2-methoxypropan-2-yl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 166315850

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 106590145) is 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCCC(COC)C2)ncn1.
What is the InChIKey of 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is KOBDIMRSDYMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-11-6-12(15-9-14-11)16-5-3-4-10(7-16)8-17-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106590145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).