[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol

C21H16N4OS — CID 18382910

IUPAC[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C21H16N4OS/c26-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(24-12-23-18)25-16-5-6-17-15(9-16)7-8-22-17/h1-10,12,22,26H,11H2,(H,23,24,25)
InChIKeyFQINJZOKZQVKKN-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.08
Rot. Bonds4

About [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol

[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol (PubChem CID 18382910) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol
PubChem CID18382910
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C21H16N4OS/c26-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(24-12-23-18)25-16-5-6-17-15(9-16)7-8-22-17/h1-10,12,22,26H,11H2,(H,23,24,25)
InChIKeyFQINJZOKZQVKKN-UHFFFAOYSA-N
XLogP5.08
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol?
The IUPAC name of [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol (CID 18382910) is [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol is OCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1.
What is the InChIKey of [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol?
The InChIKey is FQINJZOKZQVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(24-12-23-18)25-16-5-6-17-15(9-16)7-8-22-17/h1-10,12,22,26H,11H2,(H,23,24,25).
What are the key properties of [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol?
[4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol has a molecular weight of 372.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol is sourced from PubChem (CID 18382910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).