4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide

C19H14N4OS — CID 18382823

IUPAC4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H14N4OS/c20-18(24)13-6-8-14(9-7-13)23-19-17-15(21-11-22-19)10-16(25-17)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23)
InChIKeyLVPZCKVPABYHPB-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.20
Rot. Bonds4

About 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide

4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 18382823) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
PubChem CID18382823
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H14N4OS/c20-18(24)13-6-8-14(9-7-13)23-19-17-15(21-11-22-19)10-16(25-17)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23)
InChIKeyLVPZCKVPABYHPB-UHFFFAOYSA-N
XLogP4.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
Thienopyrimidine deriv. 70
CID 6539978
5-Amino-4-[3-({[4-(trifluoromethyl)phenyl]amino}carbonylamino)phenyl]thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57403038
Thienopyrimidine deriv. 7
CID 6539969
N-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)benzamide
CID 25023775
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11531618
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11569630
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11596674
4-(pyrimidin-4-ylamino)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11626366
N-(4-(2,3-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11632894

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide (CID 18382823) is 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide is NC(=O)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is LVPZCKVPABYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-18(24)13-6-8-14(9-7-13)23-19-17-15(21-11-22-19)10-16(25-17)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 346.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 18382823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).