3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one

C24H25ClN6O4 — CID 175757953

IUPAC3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1cnc(Nc2ccc(OCCN3CCOCC3)c(Cl)c2)nc1Nn1c(=O)oc2ccccc21
InChIInChI=1S/C24H25ClN6O4/c1-16-15-26-23(28-22(16)29-31-19-4-2-3-5-21(19)35-24(31)32)27-17-6-7-20(18(25)14-17)34-13-10-30-8-11-33-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,26,27,28,29)
InChIKeyNHPSOLSQVKSVBI-UHFFFAOYSA-N
MW496.96 g/mol
LogP3.68
Rot. Bonds8

About 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one

3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one (PubChem CID 175757953) has the molecular formula C24H25ClN6O4 and a molecular weight of 496.96 g/mol. Its IUPAC name is 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
PubChem CID175757953
Molecular FormulaC24H25ClN6O4
Molecular Weight496.96 g/mol
Exact Mass496.16
IUPAC Name3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1cnc(Nc2ccc(OCCN3CCOCC3)c(Cl)c2)nc1Nn1c(=O)oc2ccccc21
InChIInChI=1S/C24H25ClN6O4/c1-16-15-26-23(28-22(16)29-31-19-4-2-3-5-21(19)35-24(31)32)27-17-6-7-20(18(25)14-17)34-13-10-30-8-11-33-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,26,27,28,29)
InChIKeyNHPSOLSQVKSVBI-UHFFFAOYSA-N
XLogP3.68
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.96
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-methyl-2-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758109
3-[[2-[3-chloro-4-(trifluoromethyl)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one;2,2,2-trifluoroacetic acid
CID 175758139
3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758091
3-[[5-methyl-2-[(2-methyl-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758252
3-[[5-methyl-2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757928
3-[[2-[[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758261
3-[[2-(4-fluoro-3-pyridin-3-ylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758087
3-[[2-[[6-[2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-fluoro-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757976
5-[[2-[3-chloro-4-[2-(diethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659874
2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117092137
5-chloro-2-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[2-(methylsulfanylamino)phenyl]pyrimidine-2,4-diamine
CID 143861921

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one (CID 175757953) is 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one is Cc1cnc(Nc2ccc(OCCN3CCOCC3)c(Cl)c2)nc1Nn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The InChIKey is NHPSOLSQVKSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O4/c1-16-15-26-23(28-22(16)29-31-19-4-2-3-5-21(19)35-24(31)32)27-17-6-7-20(18(25)14-17)34-13-10-30-8-11-33-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,26,27,28,29).
What are the key properties of 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one has a molecular weight of 496.96 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one is sourced from PubChem (CID 175757953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).