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

C23H26N4O — CID 110266744

IUPAC4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCCC2c2nc(N)ncc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-12-10-17(11-13-19)16-27-14-6-5-9-21(27)22-20(15-25-23(24)26-22)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,21H,5-6,9,14,16H2,1H3,(H2,24,25,26)
InChIKeyMQHWPEWUECQJTB-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.46
Rot. Bonds5

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

4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine (PubChem CID 110266744) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
PubChem CID110266744
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCCC2c2nc(N)ncc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-12-10-17(11-13-19)16-27-14-6-5-9-21(27)22-20(15-25-23(24)26-22)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,21H,5-6,9,14,16H2,1H3,(H2,24,25,26)
InChIKeyMQHWPEWUECQJTB-UHFFFAOYSA-N
XLogP4.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 95837063
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95836937
5-(4-chlorophenyl)-4-[(2R)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837176
5-(3-chlorophenyl)-4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124939630
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[(2S)-2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95814968
5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110253193
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
4-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)pyrimidin-2-amine
CID 175661551
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95836966

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine (CID 110266744) is 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine is COc1ccc(CN2CCCCC2c2nc(N)ncc2-c2ccccc2)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine?
The InChIKey is MQHWPEWUECQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-19-12-10-17(11-13-19)16-27-14-6-5-9-21(27)22-20(15-25-23(24)26-22)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,21H,5-6,9,14,16H2,1H3,(H2,24,25,26).
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine?
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 110266744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).