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

C21H32N6O — CID 45181809

IUPAC7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC(C)n1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1
InChIInChI=1S/C21H32N6O/c1-15(2)27-14-16(12-24-27)11-22-18-9-21(3,4)10-19-17(18)13-23-20(25-19)26-5-7-28-8-6-26/h12-15,18,22H,5-11H2,1-4H3
InChIKeyRGHWFGXLJCUAEN-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.89
Rot. Bonds5

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

7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45181809) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45181809
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC(C)n1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1
InChIInChI=1S/C21H32N6O/c1-15(2)27-14-16(12-24-27)11-22-18-9-21(3,4)10-19-17(18)13-23-20(25-19)26-5-7-28-8-6-26/h12-15,18,22H,5-11H2,1-4H3
InChIKeyRGHWFGXLJCUAEN-UHFFFAOYSA-N
XLogP2.89
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-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
(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
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 166121703
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
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
N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]acetamide
CID 45194338
7,7-dimethyl-2-(4-morpholinyl)-N-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45195418
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 45181809) is 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is CC(C)n1cc(CNC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1.
What is the InChIKey of 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is RGHWFGXLJCUAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-15(2)27-14-16(12-24-27)11-22-18-9-21(3,4)10-19-17(18)13-23-20(25-19)26-5-7-28-8-6-26/h12-15,18,22H,5-11H2,1-4H3.
What are the key properties of 7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 384.53 g/mol, XLogP of 2.89, 5 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-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45181809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).