2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide

C7H12N4S — CID 56617474

IUPAC2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide
SMILESCN(C)C(=S)N1CC=CN=C1N
InChIInChI=1S/C7H12N4S/c1-10(2)7(12)11-5-3-4-9-6(11)8/h3-4H,5H2,1-2H3,(H2,8,9)
InChIKeyOMGVVVWOLQONJB-UHFFFAOYSA-N
MW184.27 g/mol
LogP-0.02
Rot. Bonds

About 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide

2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide (PubChem CID 56617474) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide
PubChem CID56617474
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide
SMILESCN(C)C(=S)N1CC=CN=C1N
InChIInChI=1S/C7H12N4S/c1-10(2)7(12)11-5-3-4-9-6(11)8/h3-4H,5H2,1-2H3,(H2,8,9)
InChIKeyOMGVVVWOLQONJB-UHFFFAOYSA-N
XLogP-0.02
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 5-0.02
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 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide?
The IUPAC name of 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide (CID 56617474) is 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide?
The canonical SMILES for 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide is CN(C)C(=S)N1CC=CN=C1N.
What is the InChIKey of 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide?
The InChIKey is OMGVVVWOLQONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-10(2)7(12)11-5-3-4-9-6(11)8/h3-4H,5H2,1-2H3,(H2,8,9).
What are the key properties of 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide?
2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide has a molecular weight of 184.27 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4H-pyrimidine-3-carbothioamide is sourced from PubChem (CID 56617474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).