6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione

C9H13N3S — CID 89198075

IUPAC6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione
SMILESC/C(=C/N(C)C)c1cc(=S)nc[nH]1
InChIInChI=1S/C9H13N3S/c1-7(5-12(2)3)8-4-9(13)11-6-10-8/h4-6H,1-3H3,(H,10,11,13)/b7-5-
InChIKeySTKDVBMWOZCYEW-ALCCZGGFSA-N
MW195.29 g/mol
LogP2.06
Rot. Bonds2

About 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione

6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione (PubChem CID 89198075) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione
PubChem CID89198075
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione
SMILESC/C(=C/N(C)C)c1cc(=S)nc[nH]1
InChIInChI=1S/C9H13N3S/c1-7(5-12(2)3)8-4-9(13)11-6-10-8/h4-6H,1-3H3,(H,10,11,13)/b7-5-
InChIKeySTKDVBMWOZCYEW-ALCCZGGFSA-N
XLogP2.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione (CID 89198075) is 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione is C/C(=C/N(C)C)c1cc(=S)nc[nH]1.
What is the InChIKey of 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione?
The InChIKey is STKDVBMWOZCYEW-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7(5-12(2)3)8-4-9(13)11-6-10-8/h4-6H,1-3H3,(H,10,11,13)/b7-5-.
What are the key properties of 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione?
6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 89198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).