6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione

C7H11N4O2+ — CID 76844507

IUPAC6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione
SMILESC/N=C1\C(=O)N(C)C(=O)[N+](C)=C1N
InChIInChI=1S/C7H10N4O2/c1-9-4-5(8)10(2)7(13)11(3)6(4)12/h8H,1-3H3/p+1/b9-4-
InChIKeyMSMBEDHMRZYQLR-WTKPLQERSA-O
MW183.19 g/mol
LogP-1.35
Rot. Bonds

About 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione

6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione (PubChem CID 76844507) has the molecular formula C7H11N4O2+ and a molecular weight of 183.19 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione
PubChem CID76844507
Molecular FormulaC7H11N4O2+
Molecular Weight183.19 g/mol
Exact Mass183.09
IUPAC Name6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione
SMILESC/N=C1\C(=O)N(C)C(=O)[N+](C)=C1N
InChIInChI=1S/C7H10N4O2/c1-9-4-5(8)10(2)7(13)11(3)6(4)12/h8H,1-3H3/p+1/b9-4-
InChIKeyMSMBEDHMRZYQLR-WTKPLQERSA-O
XLogP-1.35
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethylpurine-2,6,8-trione
CID 14754220
9-Methyl-8-oxoguanine
CID 129846870
1-Methylpurine-2,6-dione
CID 9942236
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-
CID 10035199
9-Methylpurine-2,6,8-trione
CID 53249617
1-methyl-3H-purine-2,6,8-trione
CID 136250268
4-Amino-1,3-dimethylpurine-2,6-dione
CID 162518008
(5-Imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cyanamide
CID 21857658
1,3-Dimethylpurin-3-ium-2,6-dione
CID 44483237
8-Chloro-1,3-dimethylpurin-3-ium-2,6-dione
CID 45006085
CID 45039929
CID 45039929
8-Azido-1,3-dimethylpurin-3-ium-2,6-dione
CID 45040778

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione (CID 76844507) is 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione is C/N=C1\C(=O)N(C)C(=O)[N+](C)=C1N.
What is the InChIKey of 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione?
The InChIKey is MSMBEDHMRZYQLR-WTKPLQERSA-O. The full InChI is InChI=1S/C7H10N4O2/c1-9-4-5(8)10(2)7(13)11(3)6(4)12/h8H,1-3H3/p+1/b9-4-.
What are the key properties of 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione?
6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione has a molecular weight of 183.19 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione is sourced from PubChem (CID 76844507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).