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

C13H19N3OS — CID 103746152

IUPAC4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc2sccc12
InChIInChI=1S/C13H19N3OS/c1-13(2,3)10(4-6-17)16-11-9-5-7-18-12(9)15-8-14-11/h5,7-8,10,17H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyKBJQSGFHWDQGSO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.90
Rot. Bonds4

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

4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol (PubChem CID 103746152) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
PubChem CID103746152
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc2sccc12
InChIInChI=1S/C13H19N3OS/c1-13(2,3)10(4-6-17)16-11-9-5-7-18-12(9)15-8-14-11/h5,7-8,10,17H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyKBJQSGFHWDQGSO-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 114008836
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol (CID 103746152) is 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol is CC(C)(C)C(CCO)Nc1ncnc2sccc12.
What is the InChIKey of 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol?
The InChIKey is KBJQSGFHWDQGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)10(4-6-17)16-11-9-5-7-18-12(9)15-8-14-11/h5,7-8,10,17H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol?
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol is sourced from PubChem (CID 103746152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).