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

C15H21N3OS2 — CID 106495744

IUPAC2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSCC2CCCO2)nc2sccc12
InChIInChI=1S/C15H21N3OS2/c1-2-6-16-14-12-5-8-21-15(12)18-13(17-14)10-20-9-11-4-3-7-19-11/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17,18)
InChIKeyFYEGYWWDCZAKHC-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.93
Rot. Bonds7

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

2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106495744) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106495744
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSCC2CCCO2)nc2sccc12
InChIInChI=1S/C15H21N3OS2/c1-2-6-16-14-12-5-8-21-15(12)18-13(17-14)10-20-9-11-4-3-7-19-11/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17,18)
InChIKeyFYEGYWWDCZAKHC-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324431
4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106497930
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63218023
N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63695901

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 106495744) is 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CSCC2CCCO2)nc2sccc12.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FYEGYWWDCZAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-2-6-16-14-12-5-8-21-15(12)18-13(17-14)10-20-9-11-4-3-7-19-11/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106495744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).