2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine

C12H20N4O — CID 63761850

IUPAC2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCOc1ccnc(N2CCCC(CCN)C2)n1
InChIInChI=1S/C12H20N4O/c1-17-11-5-7-14-12(15-11)16-8-2-3-10(9-16)4-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3
InChIKeyIMVOJUOLJZPOEH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine

2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 63761850) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
PubChem CID63761850
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCOc1ccnc(N2CCCC(CCN)C2)n1
InChIInChI=1S/C12H20N4O/c1-17-11-5-7-14-12(15-11)16-8-2-3-10(9-16)4-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3
InChIKeyIMVOJUOLJZPOEH-UHFFFAOYSA-N
XLogP1.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (CID 63761850) is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is COc1ccnc(N2CCCC(CCN)C2)n1.
What is the InChIKey of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is IMVOJUOLJZPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-11-5-7-14-12(15-11)16-8-2-3-10(9-16)4-6-13/h5,7,10H,2-4,6,8-9,13H2,1H3.
What are the key properties of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63761850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).