4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C13H19N3OS — CID 133491020

IUPAC4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1nc(NC(C)CCCO)c2c(C)csc2n1
InChIInChI=1S/C13H19N3OS/c1-8-7-18-13-11(8)12(15-10(3)16-13)14-9(2)5-4-6-17/h7,9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyZRDKJTFPGKBUFT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds5

About 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 133491020) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID133491020
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1nc(NC(C)CCCO)c2c(C)csc2n1
InChIInChI=1S/C13H19N3OS/c1-8-7-18-13-11(8)12(15-10(3)16-13)14-9(2)5-4-6-17/h7,9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyZRDKJTFPGKBUFT-UHFFFAOYSA-N
XLogP2.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
CID 75457587
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(furan-2-yl)ethanol
CID 133484828
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80926849
4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852682
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 75510015
N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133484980
2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038230
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 133491020) is 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is Cc1nc(NC(C)CCCO)c2c(C)csc2n1.
What is the InChIKey of 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is ZRDKJTFPGKBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-7-18-13-11(8)12(15-10(3)16-13)14-9(2)5-4-6-17/h7,9,17H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 133491020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).