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

C14H24N4O — CID 66332385

IUPACN-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCCCOc1cc(N2CCC(CNC)CC2)ncn1
InChIInChI=1S/C14H24N4O/c1-3-8-19-14-9-13(16-11-17-14)18-6-4-12(5-7-18)10-15-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyUJTIXCOWTLPEHU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.70
Rot. Bonds6

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

N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 66332385) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID66332385
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCCCOc1cc(N2CCC(CNC)CC2)ncn1
InChIInChI=1S/C14H24N4O/c1-3-8-19-14-9-13(16-11-17-14)18-6-4-12(5-7-18)10-15-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyUJTIXCOWTLPEHU-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66332224
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 66331369
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine (CID 66332385) is N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine is CCCOc1cc(N2CCC(CNC)CC2)ncn1.
What is the InChIKey of N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is UJTIXCOWTLPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-19-14-9-13(16-11-17-14)18-6-4-12(5-7-18)10-15-2/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine?
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 66332385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).