1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde

C6H10N2S — CID 123750285

IUPAC1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
SMILESCN1CCCN=C1C=S
InChIInChI=1S/C6H10N2S/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3
InChIKeySCWUOQIJPSVMSM-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.72
Rot. Bonds1

About 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde

1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde (PubChem CID 123750285) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
PubChem CID123750285
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
SMILESCN1CCCN=C1C=S
InChIInChI=1S/C6H10N2S/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3
InChIKeySCWUOQIJPSVMSM-UHFFFAOYSA-N
XLogP0.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethyl-4,5-dihydropyrimidine-6-thione
CID 143608673
1,2-Dimethyl-4,5-dihydropyrimidine-6-thione
CID 143834373
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
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-pyrimidine-2-carbothialdehyde?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde (CID 123750285) is 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde is CN1CCCN=C1C=S.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde?
The InChIKey is SCWUOQIJPSVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde?
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde has a molecular weight of 142.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde is sourced from PubChem (CID 123750285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).