4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4OS — CID 103324431

IUPAC4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCC2CCCO2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-2-6-15-14-17-12(11-5-8-20-13(11)18-14)16-9-10-4-3-7-19-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyFBRRSRZQWCRWHA-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.10
Rot. Bonds6

About 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324431) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324431
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCC2CCCO2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-2-6-15-14-17-12(11-5-8-20-13(11)18-14)16-9-10-4-3-7-19-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyFBRRSRZQWCRWHA-UHFFFAOYSA-N
XLogP3.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106497930
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324431) is 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NCC2CCCO2)c2ccsc2n1.
What is the InChIKey of 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FBRRSRZQWCRWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-6-15-14-17-12(11-5-8-20-13(11)18-14)16-9-10-4-3-7-19-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-2-ylmethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).