2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C22H27BrFN5O2 — CID 46216380

IUPAC2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1Br)C2
InChIInChI=1S/C22H27BrFN5O2/c1-13-19-17(27-21(25)26-13)11-18(15-5-4-14(24)10-16(15)23)29(20(19)30)12-22(2,3)28-6-8-31-9-7-28/h4-5,10,18H,6-9,11-12H2,1-3H3,(H2,25,26,27)
InChIKeyVLQPWLSCOSREFC-UHFFFAOYSA-N
MW492.39 g/mol
LogP3.12
Rot. Bonds4

About 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 46216380) has the molecular formula C22H27BrFN5O2 and a molecular weight of 492.39 g/mol. Its IUPAC name is 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID46216380
Molecular FormulaC22H27BrFN5O2
Molecular Weight492.39 g/mol
Exact Mass491.13
IUPAC Name2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1Br)C2
InChIInChI=1S/C22H27BrFN5O2/c1-13-19-17(27-21(25)26-13)11-18(15-5-4-14(24)10-16(15)23)29(20(19)30)12-22(2,3)28-6-8-31-9-7-28/h4-5,10,18H,6-9,11-12H2,1-3H3,(H2,25,26,27)
InChIKeyVLQPWLSCOSREFC-UHFFFAOYSA-N
XLogP3.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 46216383
(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-6-(oxan-4-ylmethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424877
(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424871
2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238018
2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238114
2-amino-7-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]-4,6-dimethyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238064
4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one
CID 47068005
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
tert-butyl 4-amino-2-(2-bromo-4-fluorophenyl)piperidine-1-carboxylate
CID 165451030
(7S)-2-amino-7-[4-fluoro-2-(3-methylimidazo[4,5-b]pyrazin-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449502
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 46216380) is 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1Br)C2.
What is the InChIKey of 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VLQPWLSCOSREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrFN5O2/c1-13-19-17(27-21(25)26-13)11-18(15-5-4-14(24)10-16(15)23)29(20(19)30)12-22(2,3)28-6-8-31-9-7-28/h4-5,10,18H,6-9,11-12H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 492.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 46216380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).