2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol

C13H19N3OS — CID 114273441

IUPAC2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc2ccsc2n1
InChIInChI=1S/C13H19N3OS/c1-9(2)6-13(3,17)8-15-12-14-7-10-4-5-18-11(10)16-12/h4-5,7,9,17H,6,8H2,1-3H3,(H,14,15,16)
InChIKeyVDURTRCVVYHMOA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.90
Rot. Bonds5

About 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol

2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol (PubChem CID 114273441) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
PubChem CID114273441
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc2ccsc2n1
InChIInChI=1S/C13H19N3OS/c1-9(2)6-13(3,17)8-15-12-14-7-10-4-5-18-11(10)16-12/h4-5,7,9,17H,6,8H2,1-3H3,(H,14,15,16)
InChIKeyVDURTRCVVYHMOA-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 103328744
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114093632
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
CID 140996813
2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
CID 66178619
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
CID 130510934
1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80851643
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol (CID 114273441) is 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol is CC(C)CC(C)(O)CNc1ncc2ccsc2n1.
What is the InChIKey of 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol?
The InChIKey is VDURTRCVVYHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)6-13(3,17)8-15-12-14-7-10-4-5-18-11(10)16-12/h4-5,7,9,17H,6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol?
2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol is sourced from PubChem (CID 114273441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).