1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione

C15H19N3O2 — CID 28618755

IUPAC1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(CNCc2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)8-16-9-13-10-17(2)15(20)18(3)14(13)19/h4-7,10,16H,8-9H2,1-3H3
InChIKeySJTOGZANROTUQU-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.68
Rot. Bonds4

About 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 28618755) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID28618755
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(CNCc2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)8-16-9-13-10-17(2)15(20)18(3)14(13)19/h4-7,10,16H,8-9H2,1-3H3
InChIKeySJTOGZANROTUQU-UHFFFAOYSA-N
XLogP0.68
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
3-[[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]methyl]benzonitrile
CID 60918891
5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 54900402
5-[(2,2-dimethylhydrazinyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83004176
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
CID 28710634
1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 106393533
5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28967528
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione (CID 28618755) is 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione is Cc1ccc(CNCc2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is SJTOGZANROTUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)8-16-9-13-10-17(2)15(20)18(3)14(13)19/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28618755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).