[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine

C14H24N4O — CID 112638683

IUPAC[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCCCOc1ccnc(N2CC(CN)CCC2C)n1
InChIInChI=1S/C14H24N4O/c1-3-8-19-13-6-7-16-14(17-13)18-10-12(9-15)5-4-11(18)2/h6-7,11-12H,3-5,8-10,15H2,1-2H3
InChIKeyBKXYWJODMHHXPQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds5

About [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine

[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine (PubChem CID 112638683) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine
PubChem CID112638683
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCCCOc1ccnc(N2CC(CN)CCC2C)n1
InChIInChI=1S/C14H24N4O/c1-3-8-19-13-6-7-16-14(17-13)18-10-12(9-15)5-4-11(18)2/h6-7,11-12H,3-5,8-10,15H2,1-2H3
InChIKeyBKXYWJODMHHXPQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxypyrimidin-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 62586902
2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638848
4-methyl-5-(4-propoxypyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112638761
(6-methyl-1-quinazolin-2-ylpiperidin-3-yl)methanamine
CID 114789467
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
CID 115975575
(6-methyl-1-pyrimidin-4-ylpiperidin-3-yl)methanamine
CID 62586721
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine (CID 112638683) is [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine is CCCOc1ccnc(N2CC(CN)CCC2C)n1.
What is the InChIKey of [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is BKXYWJODMHHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-19-13-6-7-16-14(17-13)18-10-12(9-15)5-4-11(18)2/h6-7,11-12H,3-5,8-10,15H2,1-2H3.
What are the key properties of [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine?
[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 112638683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).