7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

C22H32N6O — CID 45195418

IUPAC7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1nc(C)c(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nc1C
InChIInChI=1S/C22H32N6O/c1-14-15(2)26-20(16(3)25-14)13-23-18-10-22(4,5)11-19-17(18)12-24-21(27-19)28-6-8-29-9-7-28/h12,18,23H,6-11,13H2,1-5H3
InChIKeyRBGBXJWEVHFGNJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.83
Rot. Bonds4

About 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45195418) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45195418
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1nc(C)c(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nc1C
InChIInChI=1S/C22H32N6O/c1-14-15(2)26-20(16(3)25-14)13-23-18-10-22(4,5)11-19-17(18)12-24-21(27-19)28-6-8-29-9-7-28/h12,18,23H,6-11,13H2,1-5H3
InChIKeyRBGBXJWEVHFGNJ-UHFFFAOYSA-N
XLogP2.83
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 42154866
N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]-4,4,4-trifluorobutanamide
CID 45251824
(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 94133507
2-N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 97123918
1-[(5S)-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97143924
4-(7,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine
CID 132278765
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
CID 26409992
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
CID 26409994
N~2~-(7,7-dimethyl-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 72871056
2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 97123917
1-[5-(Cyclohexylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45171938

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 45195418) is 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is Cc1nc(C)c(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nc1C.
What is the InChIKey of 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is RBGBXJWEVHFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-14-15(2)26-20(16(3)25-14)13-23-18-10-22(4,5)11-19-17(18)12-24-21(27-19)28-6-8-29-9-7-28/h12,18,23H,6-11,13H2,1-5H3.
What are the key properties of 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 396.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-morpholin-4-yl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45195418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).