2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione

C7H11N3S — CID 106476479

IUPAC2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione
SMILESCN(C)Cc1nccc(=S)[nH]1
InChIInChI=1S/C7H11N3S/c1-10(2)5-6-8-4-3-7(11)9-6/h3-4H,5H2,1-2H3,(H,8,9,11)
InChIKeyDFDKFROUTRRVFH-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.20
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione

2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione (PubChem CID 106476479) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione
PubChem CID106476479
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione
SMILESCN(C)Cc1nccc(=S)[nH]1
InChIInChI=1S/C7H11N3S/c1-10(2)5-6-8-4-3-7(11)9-6/h3-4H,5H2,1-2H3,(H,8,9,11)
InChIKeyDFDKFROUTRRVFH-UHFFFAOYSA-N
XLogP1.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.20
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

4(3H)-Pyrimidinethione, 2-methyl-
CID 5371496
2-ethyl-1H-pyrimidine-6-thione
CID 20296804
2,3-Dimethylpyrimidine-4-thione
CID 20678886
5-amino-2-methyl-1H-pyrimidine-6-thione
CID 83669570
2-propyl-1H-pyrimidine-6-thione
CID 121602238
2-propan-2-yl-1H-pyrimidine-6-thione
CID 121602240
2-ethenyl-1H-pyrimidine-6-thione
CID 149155834
2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
CID 106476418
5-bromo-2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione
CID 106480936
2-[2-(dimethylamino)ethyl]-1H-pyrimidine-6-thione
CID 121604051

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione (CID 106476479) is 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione is CN(C)Cc1nccc(=S)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione?
The InChIKey is DFDKFROUTRRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10(2)5-6-8-4-3-7(11)9-6/h3-4H,5H2,1-2H3,(H,8,9,11).
What are the key properties of 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione?
2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione has a molecular weight of 169.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).