1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine

C13H22N4O2 — CID 115355317

IUPAC1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-14-9-10-4-6-17(7-5-10)13-15-11(18-2)8-12(16-13)19-3/h8,10,14H,4-7,9H2,1-3H3
InChIKeyWOSNLDDFWDOYFI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds5

About 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine

1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 115355317) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
PubChem CID115355317
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-14-9-10-4-6-17(7-5-10)13-15-11(18-2)8-12(16-13)19-3/h8,10,14H,4-7,9H2,1-3H3
InChIKeyWOSNLDDFWDOYFI-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine (CID 115355317) is 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2nc(OC)cc(OC)n2)CC1.
What is the InChIKey of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is WOSNLDDFWDOYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-9-10-4-6-17(7-5-10)13-15-11(18-2)8-12(16-13)19-3/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 266.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 115355317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).