(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol

C6H12N2S — CID 163429469

IUPAC(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
SMILESCN1CCCN=C1CS
InChIInChI=1S/C6H12N2S/c1-8-4-2-3-7-6(8)5-9/h9H,2-5H2,1H3
InChIKeyAPFZTIOCFXTPBH-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.65
Rot. Bonds1

About (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol

(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol (PubChem CID 163429469) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol.

Molecular Properties

Compound Name(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
PubChem CID163429469
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
SMILESCN1CCCN=C1CS
InChIInChI=1S/C6H12N2S/c1-8-4-2-3-7-6(8)5-9/h9H,2-5H2,1H3
InChIKeyAPFZTIOCFXTPBH-UHFFFAOYSA-N
XLogP0.65
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
CID 19069722
2-Methyl-1,4,5,6-tetrahydropyrimidine-5-thiol
CID 88387884
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
CID 123750285
2,3-Dimethyl-4,5-dihydropyrimidine-6-thione
CID 143608673
1,2-Dimethyl-4,5-dihydropyrimidine-6-thione
CID 143834373
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156861476
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol?
The IUPAC name of (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol (CID 163429469) is (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol.
What is the SMILES notation for (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol?
The canonical SMILES for (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol is CN1CCCN=C1CS.
What is the InChIKey of (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol?
The InChIKey is APFZTIOCFXTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-8-4-2-3-7-6(8)5-9/h9H,2-5H2,1H3.
What are the key properties of (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol?
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol has a molecular weight of 144.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol is sourced from PubChem (CID 163429469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).