2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol

C15H24N4OS — CID 62207948

IUPAC2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCCCNc1nc(CN(CCO)C(C)C)nc2sccc12
InChIInChI=1S/C15H24N4OS/c1-4-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19(7-8-20)11(2)3/h5,9,11,20H,4,6-8,10H2,1-3H3,(H,16,17,18)
InChIKeyDFNSCWGBARMIML-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.72
Rot. Bonds8

About 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol

2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (PubChem CID 62207948) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
PubChem CID62207948
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCCCNc1nc(CN(CCO)C(C)C)nc2sccc12
InChIInChI=1S/C15H24N4OS/c1-4-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19(7-8-20)11(2)3/h5,9,11,20H,4,6-8,10H2,1-3H3,(H,16,17,18)
InChIKeyDFNSCWGBARMIML-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (CID 62207948) is 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is CCCNc1nc(CN(CCO)C(C)C)nc2sccc12.
What is the InChIKey of 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The InChIKey is DFNSCWGBARMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19(7-8-20)11(2)3/h5,9,11,20H,4,6-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol has a molecular weight of 308.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 62207948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).