5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine

C16H20N4O — CID 110246159

IUPAC5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCNC2)cc1
InChIInChI=1S/C16H20N4O/c1-21-13-6-4-11(5-7-13)14-10-19-16(17)20-15(14)12-3-2-8-18-9-12/h4-7,10,12,18H,2-3,8-9H2,1H3,(H2,17,19,20)
InChIKeyUOXFTPZSCGGXST-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine

5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine (PubChem CID 110246159) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
PubChem CID110246159
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCNC2)cc1
InChIInChI=1S/C16H20N4O/c1-21-13-6-4-11(5-7-13)14-10-19-16(17)20-15(14)12-3-2-8-18-9-12/h4-7,10,12,18H,2-3,8-9H2,1H3,(H2,17,19,20)
InChIKeyUOXFTPZSCGGXST-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
1-[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110248860
1-[(3S)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95806534
3-(4-methoxyphenyl)piperidine
CID 12937920
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine (CID 110246159) is 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2C2CCCNC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is UOXFTPZSCGGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-13-6-4-11(5-7-13)14-10-19-16(17)20-15(14)12-3-2-8-18-9-12/h4-7,10,12,18H,2-3,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine?
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 110246159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).