[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate

C23H22N8O3 — CID 175201304

IUPAC[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate
SMILESCC(C)n1cc(-c2ccnc(Nc3ccc(C(=O)Nc4ccccc4OC(N)=O)cc3)n2)nn1
InChIInChI=1S/C23H22N8O3/c1-14(2)31-13-19(29-30-31)17-11-12-25-23(28-17)26-16-9-7-15(8-10-16)21(32)27-18-5-3-4-6-20(18)34-22(24)33/h3-14H,1-2H3,(H2,24,33)(H,27,32)(H,25,26,28)
InChIKeyCTSAFOILIHBTFY-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.77
Rot. Bonds7

About [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate

[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate (PubChem CID 175201304) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate.

Molecular Properties

Compound Name[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate
PubChem CID175201304
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate
SMILESCC(C)n1cc(-c2ccnc(Nc3ccc(C(=O)Nc4ccccc4OC(N)=O)cc3)n2)nn1
InChIInChI=1S/C23H22N8O3/c1-14(2)31-13-19(29-30-31)17-11-12-25-23(28-17)26-16-9-7-15(8-10-16)21(32)27-18-5-3-4-6-20(18)34-22(24)33/h3-14H,1-2H3,(H2,24,33)(H,27,32)(H,25,26,28)
InChIKeyCTSAFOILIHBTFY-UHFFFAOYSA-N
XLogP3.77
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate with MolForge

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Related Compounds

[2-[[4-[[4-(1-cyclopentyltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate
CID 175191252
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
ethyl 4-[[4-[(2-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317585
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2-aminophenyl)-4-[(4-imidazo[1,2-c]pyrimidin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44611916
N-(2-aminophenyl)-4-[[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611113
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
CID 68870589
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate?
The IUPAC name of [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate (CID 175201304) is [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate.
What is the SMILES notation for [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate?
The canonical SMILES for [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate is CC(C)n1cc(-c2ccnc(Nc3ccc(C(=O)Nc4ccccc4OC(N)=O)cc3)n2)nn1.
What is the InChIKey of [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate?
The InChIKey is CTSAFOILIHBTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-14(2)31-13-19(29-30-31)17-11-12-25-23(28-17)26-16-9-7-15(8-10-16)21(32)27-18-5-3-4-6-20(18)34-22(24)33/h3-14H,1-2H3,(H2,24,33)(H,27,32)(H,25,26,28).
What are the key properties of [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate?
[2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate has a molecular weight of 458.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[4-(1-propan-2-yltriazol-4-yl)pyrimidin-2-yl]amino]benzoyl]amino]phenyl] carbamate is sourced from PubChem (CID 175201304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).