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

C21H14N4OS — CID 18383038

IUPAC[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1
InChIInChI=1S/C21H14N4OS/c26-19(13-4-2-1-3-5-13)18-11-17-20(27-18)21(24-12-23-17)25-15-6-7-16-14(10-15)8-9-22-16/h1-12,22H,(H,23,24,25)
InChIKeyUVCZDNANYMDIHR-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.15
Rot. Bonds4

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

[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 18383038) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone
PubChem CID18383038
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1
InChIInChI=1S/C21H14N4OS/c26-19(13-4-2-1-3-5-13)18-11-17-20(27-18)21(24-12-23-17)25-15-6-7-16-14(10-15)8-9-22-16/h1-12,22H,(H,23,24,25)
InChIKeyUVCZDNANYMDIHR-UHFFFAOYSA-N
XLogP5.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone?
The IUPAC name of [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone (CID 18383038) is [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone.
What is the SMILES notation for [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone?
The canonical SMILES for [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone is O=C(c1ccccc1)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1.
What is the InChIKey of [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone?
The InChIKey is UVCZDNANYMDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c26-19(13-4-2-1-3-5-13)18-11-17-20(27-18)21(24-12-23-17)25-15-6-7-16-14(10-15)8-9-22-16/h1-12,22H,(H,23,24,25).
What are the key properties of [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone?
[4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 370.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-5-ylamino)thieno[3,2-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 18383038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).