5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine

C24H28N4O — CID 108773237

IUPAC5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H28N4O/c1-18-23(16-20-6-4-3-5-7-20)24(26-19(2)25-18)27-22-10-8-21(9-11-22)17-28-12-14-29-15-13-28/h3-11H,12-17H2,1-2H3,(H,25,26,27)
InChIKeyFTAYMZCTLSGJRZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.26
Rot. Bonds6

About 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine

5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 108773237) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
PubChem CID108773237
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H28N4O/c1-18-23(16-20-6-4-3-5-7-20)24(26-19(2)25-18)27-22-10-8-21(9-11-22)17-28-12-14-29-15-13-28/h3-11H,12-17H2,1-2H3,(H,25,26,27)
InChIKeyFTAYMZCTLSGJRZ-UHFFFAOYSA-N
XLogP4.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772072
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776567
N-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 108775625
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 53379818
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
CID 68874747
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
CID 172636149

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine (CID 108773237) is 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine is Cc1nc(C)c(Cc2ccccc2)c(Nc2ccc(CN3CCOCC3)cc2)n1.
What is the InChIKey of 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is FTAYMZCTLSGJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-23(16-20-6-4-3-5-7-20)24(26-19(2)25-18)27-22-10-8-21(9-11-22)17-28-12-14-29-15-13-28/h3-11H,12-17H2,1-2H3,(H,25,26,27).
What are the key properties of 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine?
5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 388.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108773237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).