2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione

C15H17N3S — CID 106513952

IUPAC2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
SMILESCN(C)c1ccc(-c2cc(=S)nc(C3CC3)[nH]2)cc1
InChIInChI=1S/C15H17N3S/c1-18(2)12-7-5-10(6-8-12)13-9-14(19)17-15(16-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyUQZCFYRKKSHATE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.75
Rot. Bonds3

About 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione

2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione (PubChem CID 106513952) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
PubChem CID106513952
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
SMILESCN(C)c1ccc(-c2cc(=S)nc(C3CC3)[nH]2)cc1
InChIInChI=1S/C15H17N3S/c1-18(2)12-7-5-10(6-8-12)13-9-14(19)17-15(16-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyUQZCFYRKKSHATE-UHFFFAOYSA-N
XLogP3.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.75
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

2-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
CID 106519261
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
6-(1-benzothiophen-7-yl)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 106519826
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106521767

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione (CID 106513952) is 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione is CN(C)c1ccc(-c2cc(=S)nc(C3CC3)[nH]2)cc1.
What is the InChIKey of 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione?
The InChIKey is UQZCFYRKKSHATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18(2)12-7-5-10(6-8-12)13-9-14(19)17-15(16-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione?
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione has a molecular weight of 271.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106513952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).