6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide

C10H13N3O2S — CID 107548634

IUPAC6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(OC2CCOC2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-4-8(9(11)16)13-10(12-6)15-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H2,11,16)
InChIKeyLRAVHOGXYYUJME-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.59
Rot. Bonds3

About 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide

6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide (PubChem CID 107548634) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
PubChem CID107548634
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(OC2CCOC2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-4-8(9(11)16)13-10(12-6)15-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H2,11,16)
InChIKeyLRAVHOGXYYUJME-UHFFFAOYSA-N
XLogP0.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
2-(2-cyclobutylethoxy)-6-methylpyrimidine-4-carbothioamide
CID 106201703
3-(oxolan-3-yloxy)pyrazine-2-carbothioamide
CID 63558437
[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
CID 79162624
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
CID 81052926
[3-methyl-6-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]methanamine
CID 175226728
6-methyl-2-(4-methylpentan-2-yloxy)pyrimidine-4-carbothioamide
CID 107548389
5-methyl-2-(oxolan-3-yloxy)pyridin-4-amine
CID 83267067
2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methylpyrimidine-4-carbothioamide
CID 107546997

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide (CID 107548634) is 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(OC2CCOC2)n1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide?
The InChIKey is LRAVHOGXYYUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-4-8(9(11)16)13-10(12-6)15-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H2,11,16).
What are the key properties of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide?
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide has a molecular weight of 239.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).