3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione

C9H15N3O2 — CID 59912776

IUPAC3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CN(C)C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-7-5-8(13)12(6-10(2)3)9(14)11(7)4/h5H,6H2,1-4H3
InChIKeyGPVSXRUQJLVNFG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.63
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione

3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 59912776) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione
PubChem CID59912776
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CN(C)C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-7-5-8(13)12(6-10(2)3)9(14)11(7)4/h5H,6H2,1-4H3
InChIKeyGPVSXRUQJLVNFG-UHFFFAOYSA-N
XLogP-0.63
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,3-Dimethyl-6-formyluracil
CID 453093
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
1,6-Dimethyl-3-ethyluracil
CID 21627127
6-(Aminomethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12328989
6-(Chloromethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15210021
5-Fluoro-1,3,6-trimethyluracil
CID 129754172

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione (CID 59912776) is 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(CN(C)C)c(=O)n1C.
What is the InChIKey of 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is GPVSXRUQJLVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-5-8(13)12(6-10(2)3)9(14)11(7)4/h5H,6H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione?
3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 59912776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).