4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

C12H18N4OS — CID 103329081

IUPAC4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NC(C)CCCO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(4-3-6-17)14-10-9-5-7-18-11(9)16-12(13-2)15-10/h5,7-8,17H,3-4,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHIRMTDZEHCEDDI-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.31
Rot. Bonds6

About 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 103329081) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID103329081
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NC(C)CCCO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(4-3-6-17)14-10-9-5-7-18-11(9)16-12(13-2)15-10/h5,7-8,17H,3-4,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHIRMTDZEHCEDDI-UHFFFAOYSA-N
XLogP2.31
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 103329081) is 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is CNc1nc(NC(C)CCCO)c2ccsc2n1.
What is the InChIKey of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is HIRMTDZEHCEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(4-3-6-17)14-10-9-5-7-18-11(9)16-12(13-2)15-10/h5,7-8,17H,3-4,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 103329081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).