3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C15H23N3OS — CID 103746126

IUPAC3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1sc2ncnc(NC(CCO)C(C)(C)C)c2c1C
InChIInChI=1S/C15H23N3OS/c1-9-10(2)20-14-12(9)13(16-8-17-14)18-11(6-7-19)15(3,4)5/h8,11,19H,6-7H2,1-5H3,(H,16,17,18)
InChIKeySDKXLXXBXLBFGE-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.52
Rot. Bonds4

About 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 103746126) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID103746126
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1sc2ncnc(NC(CCO)C(C)(C)C)c2c1C
InChIInChI=1S/C15H23N3OS/c1-9-10(2)20-14-12(9)13(16-8-17-14)18-11(6-7-19)15(3,4)5/h8,11,19H,6-7H2,1-5H3,(H,16,17,18)
InChIKeySDKXLXXBXLBFGE-UHFFFAOYSA-N
XLogP3.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 103746126) is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is Cc1sc2ncnc(NC(CCO)C(C)(C)C)c2c1C.
What is the InChIKey of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is SDKXLXXBXLBFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-10(2)20-14-12(9)13(16-8-17-14)18-11(6-7-19)15(3,4)5/h8,11,19H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 293.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103746126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).