4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one

C21H24N4O2 — CID 135899343

IUPAC4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCN(CCOc1ccccc1)Cc1ccc(-c2nc(CN)cc(=O)[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-25(11-12-27-19-5-3-2-4-6-19)15-16-7-9-17(10-8-16)21-23-18(14-22)13-20(26)24-21/h2-10,13H,11-12,14-15,22H2,1H3,(H,23,24,26)
InChIKeyNBWBWTAEOSMYOW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.41
Rot. Bonds8

About 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one

4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135899343) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135899343
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCN(CCOc1ccccc1)Cc1ccc(-c2nc(CN)cc(=O)[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-25(11-12-27-19-5-3-2-4-6-19)15-16-7-9-17(10-8-16)21-23-18(14-22)13-20(26)24-21/h2-10,13H,11-12,14-15,22H2,1H3,(H,23,24,26)
InChIKeyNBWBWTAEOSMYOW-UHFFFAOYSA-N
XLogP2.41
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
CID 19079462
N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N'-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 161100931
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135906353
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
6-(4-fluorophenyl)-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135896073
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one
CID 135630726
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one (CID 135899343) is 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one is CN(CCOc1ccccc1)Cc1ccc(-c2nc(CN)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is NBWBWTAEOSMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(11-12-27-19-5-3-2-4-6-19)15-16-7-9-17(10-8-16)21-23-18(14-22)13-20(26)24-21/h2-10,13H,11-12,14-15,22H2,1H3,(H,23,24,26).
What are the key properties of 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 364.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[4-[[methyl(2-phenoxyethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135899343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).