4,6-dimethylpyrimidin-1-ium-1,2-diamine

C6H11N4+ — CID 22220794

IUPAC4,6-dimethylpyrimidin-1-ium-1,2-diamine
SMILESCc1cc(C)[n+](N)c(N)n1
InChIInChI=1S/C6H10N4/c1-4-3-5(2)10(8)6(7)9-4/h3,7H,8H2,1-2H3/p+1
InChIKeyDFEJKANZSXPIPE-UHFFFAOYSA-O
MW139.18 g/mol
LogP-0.72
Rot. Bonds

About 4,6-dimethylpyrimidin-1-ium-1,2-diamine

4,6-dimethylpyrimidin-1-ium-1,2-diamine (PubChem CID 22220794) has the molecular formula C6H11N4+ and a molecular weight of 139.18 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-1-ium-1,2-diamine.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-1-ium-1,2-diamine
PubChem CID22220794
Molecular FormulaC6H11N4+
Molecular Weight139.18 g/mol
Exact Mass139.10
IUPAC Name4,6-dimethylpyrimidin-1-ium-1,2-diamine
SMILESCc1cc(C)[n+](N)c(N)n1
InChIInChI=1S/C6H10N4/c1-4-3-5(2)10(8)6(7)9-4/h3,7H,8H2,1-2H3/p+1
InChIKeyDFEJKANZSXPIPE-UHFFFAOYSA-O
XLogP-0.72
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylpyrimidin-1-ium-1,2-diamine
CID 22220834
(2-amino-4,6-dimethylpyrimidin-1-ium-1-yl) 2-chloroacetate
CID 91221918
1,2,4,6-tetramethylpyrimidin-1-ium
CID 3774525
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine
CID 159767506
1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
CID 59922663
6-fluoro-3-methylisoquinolin-1-amine
CID 115014668
6-methylpyridine-2,3,4-triamine
CID 55281971
2-(difluoromethyl)-6-methylpyridin-4-amine
CID 118295521
CID 153366173
CID 153366173
2,4-dimethyl-6-(trifluoromethoxy)pyridine
CID 130088944
sulfane;2,4,6-trimethylpyridine
CID 69294176

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-1-ium-1,2-diamine?
The IUPAC name of 4,6-dimethylpyrimidin-1-ium-1,2-diamine (CID 22220794) is 4,6-dimethylpyrimidin-1-ium-1,2-diamine.
What is the SMILES notation for 4,6-dimethylpyrimidin-1-ium-1,2-diamine?
The canonical SMILES for 4,6-dimethylpyrimidin-1-ium-1,2-diamine is Cc1cc(C)[n+](N)c(N)n1.
What is the InChIKey of 4,6-dimethylpyrimidin-1-ium-1,2-diamine?
The InChIKey is DFEJKANZSXPIPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N4/c1-4-3-5(2)10(8)6(7)9-4/h3,7H,8H2,1-2H3/p+1.
What are the key properties of 4,6-dimethylpyrimidin-1-ium-1,2-diamine?
4,6-dimethylpyrimidin-1-ium-1,2-diamine has a molecular weight of 139.18 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-1-ium-1,2-diamine is sourced from PubChem (CID 22220794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).