1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine

C6H14N4 — CID 131871119

IUPAC1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine
SMILESCN1C=C(N)C(N)N(C)C1
InChIInChI=1S/C6H14N4/c1-9-3-5(7)6(8)10(2)4-9/h3,6H,4,7-8H2,1-2H3
InChIKeyZMKORVAEMKZHBW-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.09
Rot. Bonds

About 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine

1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine (PubChem CID 131871119) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine
PubChem CID131871119
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine
SMILESCN1C=C(N)C(N)N(C)C1
InChIInChI=1S/C6H14N4/c1-9-3-5(7)6(8)10(2)4-9/h3,6H,4,7-8H2,1-2H3
InChIKeyZMKORVAEMKZHBW-UHFFFAOYSA-N
XLogP-1.09
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2H-pyridine-4,5-diamine
CID 141045250
1,3,5-trimethyl-1,3,5-triazinan-2-amine
CID 174832222
1,3-dimethyl-1,3-diazinan-2-amine
CID 123639492
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 64815854
ethane;1-methyl-2,3-dihydropyrrol-4-amine
CID 142426585
4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride
CID 173207499
2-(1,4-dimethylpyrazol-5-yl)cyclopentan-1-amine
CID 130527557
1,2,4-trimethyl-1,2,4-triazolidin-3-amine
CID 123278037
3,5,8,10-tetramethyl-3,5,8,10-tetrazatricyclo[5.3.0.02,6]decane
CID 10584056
4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole
CID 156674418
2-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 63961612
(4S)-4-methylcyclobuten-1-amine
CID 164996658

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine?
The IUPAC name of 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine (CID 131871119) is 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine is CN1C=C(N)C(N)N(C)C1.
What is the InChIKey of 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine?
The InChIKey is ZMKORVAEMKZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-9-3-5(7)6(8)10(2)4-9/h3,6H,4,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine?
1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine has a molecular weight of 142.21 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine is sourced from PubChem (CID 131871119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).