1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

C17H22N4O — CID 117224093

IUPAC1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCOc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-4-2-3-13(10-16)9-14-11-19-17(20-12-14)21-7-5-15(18)6-8-21/h2-4,10-12,15H,5-9,18H2,1H3
InChIKeyHEXAXZAPOVHTAD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.00
Rot. Bonds4

About 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224093) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224093
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCOc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-4-2-3-13(10-16)9-14-11-19-17(20-12-14)21-7-5-15(18)6-8-21/h2-4,10-12,15H,5-9,18H2,1H3
InChIKeyHEXAXZAPOVHTAD-UHFFFAOYSA-N
XLogP2.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine 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

1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
1-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224100
1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224095
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224499
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
3-[(3-methoxyphenyl)methyl]-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152913
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (CID 117224093) is 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is COc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is HEXAXZAPOVHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-16-4-2-3-13(10-16)9-14-11-19-17(20-12-14)21-7-5-15(18)6-8-21/h2-4,10-12,15H,5-9,18H2,1H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).