5,6-dimethyl-1,4-dihydropyrimidin-4-amine

C6H11N3 — CID 90453936

IUPAC5,6-dimethyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=C(C)C(N)N=CN1
InChIInChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,6H,7H2,1-2H3,(H,8,9)
InChIKeyNIJHPGAJYRHBNI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.20
Rot. Bonds

About 5,6-dimethyl-1,4-dihydropyrimidin-4-amine

5,6-dimethyl-1,4-dihydropyrimidin-4-amine (PubChem CID 90453936) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5,6-dimethyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-1,4-dihydropyrimidin-4-amine
PubChem CID90453936
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5,6-dimethyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=C(C)C(N)N=CN1
InChIInChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,6H,7H2,1-2H3,(H,8,9)
InChIKeyNIJHPGAJYRHBNI-UHFFFAOYSA-N
XLogP0.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1,4-dihydropyrimidine
CID 19748724
5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071758
5,6-Dimethyl-1,4-dihydropyrimidine
CID 58863324
N,6-dimethyl-1,4-dihydropyrimidin-5-amine
CID 89418734
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
5,6-Dimethyl-1,4-dihydropyrimidine;ethane
CID 91034579
1,5,6-trimethyl-4H-pyrimidine
CID 117884493
6-Methyl-1,4-dihydropyrimidin-5-amine
CID 142030297
Ethane;6-methyl-1,4-dihydropyrimidine
CID 144981996
6-Methyl-1,4-dihydropyrimidine-4,5-diamine
CID 154521869
4,6-dimethyl-1H-pyrimidine
CID 176543833

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-1,4-dihydropyrimidin-4-amine (CID 90453936) is 5,6-dimethyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-1,4-dihydropyrimidin-4-amine is CC1=C(C)C(N)N=CN1.
What is the InChIKey of 5,6-dimethyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is NIJHPGAJYRHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,6H,7H2,1-2H3,(H,8,9).
What are the key properties of 5,6-dimethyl-1,4-dihydropyrimidin-4-amine?
5,6-dimethyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 125.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 90453936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).