2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide

C24H25ClN6O4 — CID 155561484

IUPAC2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C24H25ClN6O4/c1-26-23(33)18-4-2-3-5-20(18)29-22-19(25)14-27-24(30-22)28-16-6-8-17(9-7-16)35-15-21(32)31-10-12-34-13-11-31/h2-9,14H,10-13,15H2,1H3,(H,26,33)(H2,27,28,29,30)
InChIKeyQUYGOGKCCWWTSB-UHFFFAOYSA-N
MW496.96 g/mol
LogP3.21
Rot. Bonds8

About 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide

2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide (PubChem CID 155561484) has the molecular formula C24H25ClN6O4 and a molecular weight of 496.96 g/mol. Its IUPAC name is 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
PubChem CID155561484
Molecular FormulaC24H25ClN6O4
Molecular Weight496.96 g/mol
Exact Mass496.16
IUPAC Name2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C24H25ClN6O4/c1-26-23(33)18-4-2-3-5-20(18)29-22-19(25)14-27-24(30-22)28-16-6-8-17(9-7-16)35-15-21(32)31-10-12-34-13-11-31/h2-9,14H,10-13,15H2,1H3,(H,26,33)(H2,27,28,29,30)
InChIKeyQUYGOGKCCWWTSB-UHFFFAOYSA-N
XLogP3.21
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.96
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide (CID 155561484) is 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The InChIKey is QUYGOGKCCWWTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O4/c1-26-23(33)18-4-2-3-5-20(18)29-22-19(25)14-27-24(30-22)28-16-6-8-17(9-7-16)35-15-21(32)31-10-12-34-13-11-31/h2-9,14H,10-13,15H2,1H3,(H,26,33)(H2,27,28,29,30).
What are the key properties of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide has a molecular weight of 496.96 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 155561484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).