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

C15H26N4O — CID 115973416

IUPAC1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESCCCOc1cc(C)nc(N2CCCCC2C(C)N)n1
InChIInChI=1S/C15H26N4O/c1-4-9-20-14-10-11(2)17-15(18-14)19-8-6-5-7-13(19)12(3)16/h10,12-13H,4-9,16H2,1-3H3
InChIKeyBPNBVIHTLIHUDX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds5

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

1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine (PubChem CID 115973416) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
PubChem CID115973416
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESCCCOc1cc(C)nc(N2CCCCC2C(C)N)n1
InChIInChI=1S/C15H26N4O/c1-4-9-20-14-10-11(2)17-15(18-14)19-8-6-5-7-13(19)12(3)16/h10,12-13H,4-9,16H2,1-3H3
InChIKeyBPNBVIHTLIHUDX-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
1-[1-(5-methylpyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63255605
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66333682
1-(4-methyl-6-propoxypyrimidin-2-yl)-3-propylazetidin-3-amine
CID 112635869
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine (CID 115973416) is 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine is CCCOc1cc(C)nc(N2CCCCC2C(C)N)n1.
What is the InChIKey of 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine?
The InChIKey is BPNBVIHTLIHUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-9-20-14-10-11(2)17-15(18-14)19-8-6-5-7-13(19)12(3)16/h10,12-13H,4-9,16H2,1-3H3.
What are the key properties of 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine?
1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 115973416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).