2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione

C11H19N3S — CID 106475424

IUPAC2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-8(2)9-7-11(15)13-10(12-9)5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyCCKJXFWZZVQBFN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.37
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione

2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475424) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475424
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-8(2)9-7-11(15)13-10(12-9)5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyCCKJXFWZZVQBFN-UHFFFAOYSA-N
XLogP2.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 91449481
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
2-(2-Methyl-1,4-dihydropyrimidin-6-yl)propanethioamide
CID 123182298
2-(2-Methyl-1,4-dihydropyrimidin-6-yl)but-3-ynethioamide
CID 123370938
2-Cyano-2-(2-methyl-1,4-dihydropyrimidin-6-yl)ethanethioamide
CID 123701598
6-Ethyl-4-methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 153569877
3-methyl-2,6-di(propan-2-yl)-4H-pyrimidine
CID 156306574
2,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 167420555
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475424) is 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(CCN(C)C)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is CCKJXFWZZVQBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)9-7-11(15)13-10(12-9)5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).