4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide

C19H16N6O3 — CID 46853031

IUPAC4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H16N6O3/c1-10-9-21-18(23-12-4-2-11(3-5-12)16(20)26)25-17(10)22-13-6-7-15-14(8-13)24-19(27)28-15/h2-9H,1H3,(H2,20,26)(H,24,27)(H2,21,22,23,25)
InChIKeyARRXOYIIRJAAOL-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide

4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 46853031) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID46853031
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H16N6O3/c1-10-9-21-18(23-12-4-2-11(3-5-12)16(20)26)25-17(10)22-13-6-7-15-14(8-13)24-19(27)28-15/h2-9H,1H3,(H2,20,26)(H,24,27)(H2,21,22,23,25)
InChIKeyARRXOYIIRJAAOL-UHFFFAOYSA-N
XLogP2.81
TPSA138.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide with MolForge

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Related Compounds

5-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659730
5-[[5-methyl-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 58071391
5-[[2-(4-tert-butylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659849
5-[[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659813
5-[[2-(3-fluoro-4-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660089
5-[[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660105
5-[[2-(4-fluoro-3-hydroxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66713661
1-methyl-4-[4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]piperazine-2-carboxamide
CID 66659844
5-[[2-[(5-bromo-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659462
5-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659370
5-[[5-methyl-2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 67144930
N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide
CID 172684519

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 46853031) is 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide is Cc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is ARRXOYIIRJAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-10-9-21-18(23-12-4-2-11(3-5-12)16(20)26)25-17(10)22-13-6-7-15-14(8-13)24-19(27)28-15/h2-9H,1H3,(H2,20,26)(H,24,27)(H2,21,22,23,25).
What are the key properties of 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 376.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 46853031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).