1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea

C24H16ClN5OS — CID 68952217

IUPAC1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1
InChIInChI=1S/C24H16ClN5OS/c25-17-4-6-18(7-5-17)29-24(31)30-19-3-1-2-16(12-19)22-20-13-21(15-8-10-26-11-9-15)32-23(20)28-14-27-22/h1-14H,(H2,29,30,31)
InChIKeyHBVOEUBFUQLVKG-UHFFFAOYSA-N
MW457.95 g/mol
LogP6.72
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea (PubChem CID 68952217) has the molecular formula C24H16ClN5OS and a molecular weight of 457.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea
PubChem CID68952217
Molecular FormulaC24H16ClN5OS
Molecular Weight457.95 g/mol
Exact Mass457.08
IUPAC Name1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1
InChIInChI=1S/C24H16ClN5OS/c25-17-4-6-18(7-5-17)29-24(31)30-19-3-1-2-16(12-19)22-20-13-21(15-8-10-26-11-9-15)32-23(20)28-14-27-22/h1-14H,(H2,29,30,31)
InChIKeyHBVOEUBFUQLVKG-UHFFFAOYSA-N
XLogP6.72
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.95
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
N-[3-[6-(4-cyanophenyl)thieno[2,3-d]pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154057735
1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
CID 144796939
1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 166963075
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
CID 70933844
1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea
CID 44528605
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085196
(2S)-N-(4-acetamidophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea (CID 68952217) is 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea?
The InChIKey is HBVOEUBFUQLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5OS/c25-17-4-6-18(7-5-17)29-24(31)30-19-3-1-2-16(12-19)22-20-13-21(15-8-10-26-11-9-15)32-23(20)28-14-27-22/h1-14H,(H2,29,30,31).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea has a molecular weight of 457.95 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea is sourced from PubChem (CID 68952217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).