2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide

C25H27ClN6O4 — CID 155517127

IUPAC2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(OC(C)C(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C25H27ClN6O4/c1-16(24(34)32-11-13-35-14-12-32)36-18-9-7-17(8-10-18)29-25-28-15-20(26)22(31-25)30-21-6-4-3-5-19(21)23(33)27-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyWAPPPJLAYCCQJK-UHFFFAOYSA-N
MW510.98 g/mol
LogP3.60
Rot. Bonds8

About 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide

2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide (PubChem CID 155517127) has the molecular formula C25H27ClN6O4 and a molecular weight of 510.98 g/mol. Its IUPAC name is 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
PubChem CID155517127
Molecular FormulaC25H27ClN6O4
Molecular Weight510.98 g/mol
Exact Mass510.18
IUPAC Name2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(OC(C)C(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C25H27ClN6O4/c1-16(24(34)32-11-13-35-14-12-32)36-18-9-7-17(8-10-18)29-25-28-15-20(26)22(31-25)30-21-6-4-3-5-19(21)23(33)27-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyWAPPPJLAYCCQJK-UHFFFAOYSA-N
XLogP3.60
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.98
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide (CID 155517127) is 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(OC(C)C(=O)N3CCOCC3)cc2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
The InChIKey is WAPPPJLAYCCQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O4/c1-16(24(34)32-11-13-35-14-12-32)36-18-9-7-17(8-10-18)29-25-28-15-20(26)22(31-25)30-21-6-4-3-5-19(21)23(33)27-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of 2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide?
2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide has a molecular weight of 510.98 g/mol, XLogP of 3.60, 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-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 155517127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).