4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

C20H29N7O — CID 72935142

IUPAC4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1
InChIInChI=1S/C20H29N7O/c1-13-9-17(26-18(21-4)23-13)24-15-10-20(2,3)11-16-14(15)12-22-19(25-16)27-5-7-28-8-6-27/h9,12,15H,5-8,10-11H2,1-4H3,(H2,21,23,24,26)
InChIKeyWFSKGLNRCLHJSV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.58
Rot. Bonds4

About 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 72935142) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID72935142
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1
InChIInChI=1S/C20H29N7O/c1-13-9-17(26-18(21-4)23-13)24-15-10-20(2,3)11-16-14(15)12-22-19(25-16)27-5-7-28-8-6-27/h9,12,15H,5-8,10-11H2,1-4H3,(H2,21,23,24,26)
InChIKeyWFSKGLNRCLHJSV-UHFFFAOYSA-N
XLogP2.58
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 72935142) is 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1.
What is the InChIKey of 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is WFSKGLNRCLHJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-13-9-17(26-18(21-4)23-13)24-15-10-20(2,3)11-16-14(15)12-22-19(25-16)27-5-7-28-8-6-27/h9,12,15H,5-8,10-11H2,1-4H3,(H2,21,23,24,26).
What are the key properties of 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 383.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72935142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).