4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine

C14H19N3OS2 — CID 106497930

IUPAC4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(SCC2CCCO2)c2ccsc2n1
InChIInChI=1S/C14H19N3OS2/c1-2-6-15-14-16-12-11(5-8-19-12)13(17-14)20-9-10-4-3-7-18-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeyADIQCMSEQCGGAF-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.78
Rot. Bonds6

About 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine

4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 106497930) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID106497930
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(SCC2CCCO2)c2ccsc2n1
InChIInChI=1S/C14H19N3OS2/c1-2-6-15-14-16-12-11(5-8-19-12)13(17-14)20-9-10-4-3-7-18-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeyADIQCMSEQCGGAF-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324431
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
4-(cyclopentylmethoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332973
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 30764923
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 106497930) is 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(SCC2CCCO2)c2ccsc2n1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ADIQCMSEQCGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-2-6-15-14-16-12-11(5-8-19-12)13(17-14)20-9-10-4-3-7-18-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17).
What are the key properties of 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 309.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 106497930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).