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

C15H26N4O — CID 115973451

IUPAC2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCCCOc1cc(C)nc(N2CCCC(CCN)C2)n1
InChIInChI=1S/C15H26N4O/c1-3-9-20-14-10-12(2)17-15(18-14)19-8-4-5-13(11-19)6-7-16/h10,13H,3-9,11,16H2,1-2H3
InChIKeyLOSYEYOKAYZNET-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.14
Rot. Bonds6

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

2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 115973451) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
PubChem CID115973451
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCCCOc1cc(C)nc(N2CCCC(CCN)C2)n1
InChIInChI=1S/C15H26N4O/c1-3-9-20-14-10-12(2)17-15(18-14)19-8-4-5-13(11-19)6-7-16/h10,13H,3-9,11,16H2,1-2H3
InChIKeyLOSYEYOKAYZNET-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 66331369
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892
1-(2-chloroethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)-1,4-diazepane
CID 115973845
2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 112635773
1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 115973416
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 115973341

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (CID 115973451) is 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is CCCOc1cc(C)nc(N2CCCC(CCN)C2)n1.
What is the InChIKey of 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is LOSYEYOKAYZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-20-14-10-12(2)17-15(18-14)19-8-4-5-13(11-19)6-7-16/h10,13H,3-9,11,16H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 115973451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).