5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione

C7H11N3O2 — CID 79502466

IUPAC5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCNCC1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8-2)10-7(4)12/h4,8H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyZGWSQSRHZVJSDQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.10
Rot. Bonds2

About 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione

5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione (PubChem CID 79502466) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
PubChem CID79502466
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCNCC1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8-2)10-7(4)12/h4,8H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyZGWSQSRHZVJSDQ-UHFFFAOYSA-N
XLogP-1.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione
CID 76998639
6-(methylaminomethyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79501692
2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550948
2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
CID 79501110
2-(1,4-diazepan-1-yl)-5-methyl-1H-pyrimidine-4,6-dione
CID 79500956
3-(methylaminomethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
CID 135905243
2-(2-aminopropyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998275
2-(2-aminopropyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione
CID 79501612
1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine
CID 58875233
4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106952234
2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952008
2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978262

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione (CID 79502466) is 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione is CNCC1=NC(=O)C(C)C(=O)N1.
What is the InChIKey of 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is ZGWSQSRHZVJSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8-2)10-7(4)12/h4,8H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 169.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).