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

C19H26FN7O — CID 72871056

IUPAC2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)ncc1F
InChIInChI=1S/C19H26FN7O/c1-19(2)8-14(24-17-22-11-13(20)16(21-3)26-17)12-10-23-18(25-15(12)9-19)27-4-6-28-7-5-27/h10-11,14H,4-9H2,1-3H3,(H2,21,22,24,26)
InChIKeyIBSOKSDUJQXHOZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.41
Rot. Bonds4

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

2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (PubChem CID 72871056) has the molecular formula C19H26FN7O and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
PubChem CID72871056
Molecular FormulaC19H26FN7O
Molecular Weight387.46 g/mol
Exact Mass387.22
IUPAC Name2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)ncc1F
InChIInChI=1S/C19H26FN7O/c1-19(2)8-14(24-17-22-11-13(20)16(21-3)26-17)12-10-23-18(25-15(12)9-19)27-4-6-28-7-5-27/h10-11,14H,4-9H2,1-3H3,(H2,21,22,24,26)
InChIKeyIBSOKSDUJQXHOZ-UHFFFAOYSA-N
XLogP2.41
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
4-(5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 16228818
N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25446996
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
(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
5-fluoro-N~4~-methyl-N~2~-[cis-3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine
CID 91771253
N-[cis-3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine
CID 91786900
(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
4-N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 97138193

Frequently Asked Questions

What is the IUPAC name of 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (CID 72871056) is 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is CNc1nc(NC2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)ncc1F.
What is the InChIKey of 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is IBSOKSDUJQXHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN7O/c1-19(2)8-14(24-17-22-11-13(20)16(21-3)26-17)12-10-23-18(25-15(12)9-19)27-4-6-28-7-5-27/h10-11,14H,4-9H2,1-3H3,(H2,21,22,24,26).
What are the key properties of 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 387.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).