4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide

C26H27N7O2 — CID 169265922

IUPAC4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCOCC5)ncc4c3)n2)cc1
InChIInChI=1S/C26H27N7O2/c1-17(2)29-24(34)18-3-6-21(7-4-18)30-25-27-10-9-23(31-25)19-5-8-22-20(15-19)16-28-26(32-22)33-11-13-35-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)(H,27,30,31)
InChIKeyXOCCIJUVHIYNCB-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.81
Rot. Bonds6

About 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide

4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 169265922) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID169265922
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCOCC5)ncc4c3)n2)cc1
InChIInChI=1S/C26H27N7O2/c1-17(2)29-24(34)18-3-6-21(7-4-18)30-25-27-10-9-23(31-25)19-5-8-22-20(15-19)16-28-26(32-22)33-11-13-35-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)(H,27,30,31)
InChIKeyXOCCIJUVHIYNCB-UHFFFAOYSA-N
XLogP3.81
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide (CID 169265922) is 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCOCC5)ncc4c3)n2)cc1.
What is the InChIKey of 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is XOCCIJUVHIYNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-17(2)29-24(34)18-3-6-21(7-4-18)30-25-27-10-9-23(31-25)19-5-8-22-20(15-19)16-28-26(32-22)33-11-13-35-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)(H,27,30,31).
What are the key properties of 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 469.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 169265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).