N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide

C6H7N3OS — CID 13468415

IUPACN-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc[nH]c1=S
InChIInChI=1S/C6H7N3OS/c1-7-5(10)4-2-8-3-9-6(4)11/h2-3H,1H3,(H,7,10)(H,8,9,11)
InChIKeyDZJINLIJZPEXLN-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.50
Rot. Bonds1

About N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide

N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide (PubChem CID 13468415) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
PubChem CID13468415
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC NameN-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc[nH]c1=S
InChIInChI=1S/C6H7N3OS/c1-7-5(10)4-2-8-3-9-6(4)11/h2-3H,1H3,(H,7,10)(H,8,9,11)
InChIKeyDZJINLIJZPEXLN-UHFFFAOYSA-N
XLogP0.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
4-Thioxo-1,4-dihydropyrimidine-5-carboxamide
CID 13468414
4-Mercapto-5-acetylpyrimidine
CID 53965117
5-(Aminomethyl)pyrimidin-4-ol
CID 33741929
5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 82651173
3-Methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83872657

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide (CID 13468415) is N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide is CNC(=O)c1cnc[nH]c1=S.
What is the InChIKey of N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The InChIKey is DZJINLIJZPEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-7-5(10)4-2-8-3-9-6(4)11/h2-3H,1H3,(H,7,10)(H,8,9,11).
What are the key properties of N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide has a molecular weight of 169.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 13468415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).