6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene

C12H23N3S — CID 143033433

IUPAC6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
SMILESC=CC.CC.Cc1nc(=S)cc(N(C)C)[nH]1
InChIInChI=1S/C7H11N3S.C3H6.C2H6/c1-5-8-6(10(2)3)4-7(11)9-5;1-3-2;1-2/h4H,1-3H3,(H,8,9,11);3H,1H2,2H3;1-2H3
InChIKeySIPAUCGFZOGPMS-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.73
Rot. Bonds1

About 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene

6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene (PubChem CID 143033433) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
PubChem CID143033433
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
SMILESC=CC.CC.Cc1nc(=S)cc(N(C)C)[nH]1
InChIInChI=1S/C7H11N3S.C3H6.C2H6/c1-5-8-6(10(2)3)4-7(11)9-5;1-3-2;1-2/h4H,1-3H3,(H,8,9,11);3H,1H2,2H3;1-2H3
InChIKeySIPAUCGFZOGPMS-UHFFFAOYSA-N
XLogP3.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166
6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457167
6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457168
6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457214
2-ethyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457221
6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione
CID 82457228
2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457282

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene?
The IUPAC name of 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene (CID 143033433) is 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene?
The canonical SMILES for 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene is C=CC.CC.Cc1nc(=S)cc(N(C)C)[nH]1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene?
The InChIKey is SIPAUCGFZOGPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.C3H6.C2H6/c1-5-8-6(10(2)3)4-7(11)9-5;1-3-2;1-2/h4H,1-3H3,(H,8,9,11);3H,1H2,2H3;1-2H3.
What are the key properties of 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene?
6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene has a molecular weight of 241.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene is sourced from PubChem (CID 143033433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).