7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

C22H32N6O — CID 45195628

IUPAC7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESC=CCn1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)n1
InChIInChI=1S/C22H32N6O/c1-5-6-28-15-17(16(2)26-28)13-23-19-11-22(3,4)12-20-18(19)14-24-21(25-20)27-7-9-29-10-8-27/h5,14-15,19,23H,1,6-13H2,2-4H3
InChIKeyFWFLERYOANNFNK-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.81
Rot. Bonds6

About 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45195628) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45195628
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESC=CCn1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)n1
InChIInChI=1S/C22H32N6O/c1-5-6-28-15-17(16(2)26-28)13-23-19-11-22(3,4)12-20-18(19)14-24-21(25-20)27-7-9-29-10-8-27/h5,14-15,19,23H,1,6-13H2,2-4H3
InChIKeyFWFLERYOANNFNK-UHFFFAOYSA-N
XLogP2.81
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Related Compounds

N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 45244981
(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]-1-methyl-1H-pyrazole-5-carboxamide
CID 45172400
(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
2-(3-tert-butylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 139300064
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
N-allyl-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45173118
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45181809
1-(5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45194274

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (CID 45195628) is 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is C=CCn1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)n1.
What is the InChIKey of 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is FWFLERYOANNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-5-6-28-15-17(16(2)26-28)13-23-19-11-22(3,4)12-20-18(19)14-24-21(25-20)27-7-9-29-10-8-27/h5,14-15,19,23H,1,6-13H2,2-4H3.
What are the key properties of 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 396.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45195628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).