5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione

C14H17N3O2 — CID 3041132

IUPAC5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione
SMILESCN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O2/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18/h4-8,10H,9H2,1-3H3
InChIKeyHOEBQYBHQPNHGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.60
Rot. Bonds3

About 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione

5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione (PubChem CID 3041132) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione
PubChem CID3041132
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione
SMILESCN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O2/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18/h4-8,10H,9H2,1-3H3
InChIKeyHOEBQYBHQPNHGT-UHFFFAOYSA-N
XLogP0.60
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-3-methyl-1-phenylpyrimidine-2,4-dione
CID 90752094
1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione
CID 124613931
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
4-bromo-5-[(dimethylamino)methyl]-1-methyl-2-phenylpyrazol-3-one
CID 69003640
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
CID 64590695
3-methyl-1-phenylpyrimidine-2,4-dione
CID 14566646
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058
1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione
CID 99822152
5-[(2,2-dimethylhydrazinyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83004176
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60963240
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione
CID 3041134

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione (CID 3041132) is 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione is CN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is HOEBQYBHQPNHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione?
5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 3041132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).