N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine

C15H26N4O — CID 66331777

IUPACN-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
SMILESCCCOc1cc(N2CCCCC2CCNC)ncn1
InChIInChI=1S/C15H26N4O/c1-3-10-20-15-11-14(17-12-18-15)19-9-5-4-6-13(19)7-8-16-2/h11-13,16H,3-10H2,1-2H3
InChIKeyAIJVJRPOHCJSCL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds7

About N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine

N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine (PubChem CID 66331777) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
PubChem CID66331777
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
SMILESCCCOc1cc(N2CCCCC2CCNC)ncn1
InChIInChI=1S/C15H26N4O/c1-3-10-20-15-11-14(17-12-18-15)19-9-5-4-6-13(19)7-8-16-2/h11-13,16H,3-10H2,1-2H3
InChIKeyAIJVJRPOHCJSCL-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 66331814
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine (CID 66331777) is N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine is CCCOc1cc(N2CCCCC2CCNC)ncn1.
What is the InChIKey of N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine?
The InChIKey is AIJVJRPOHCJSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-10-20-15-11-14(17-12-18-15)19-9-5-4-6-13(19)7-8-16-2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine?
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 66331777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).