2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile

C28H24N8O2 — CID 118493738

IUPAC2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile
SMILESCOc1cc(-c2cccc3nc(C(C)Nc4nc(N)nc(C)c4C#N)n(-c4ccccc4)c(=O)c23)ccn1
InChIInChI=1S/C28H24N8O2/c1-16-21(15-29)25(35-28(30)33-16)32-17(2)26-34-22-11-7-10-20(18-12-13-31-23(14-18)38-3)24(22)27(37)36(26)19-8-5-4-6-9-19/h4-14,17H,1-3H3,(H3,30,32,33,35)
InChIKeyQOIYXYUOFYLMSN-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.18
Rot. Bonds6

About 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile

2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile (PubChem CID 118493738) has the molecular formula C28H24N8O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile
PubChem CID118493738
Molecular FormulaC28H24N8O2
Molecular Weight504.55 g/mol
Exact Mass504.20
IUPAC Name2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile
SMILESCOc1cc(-c2cccc3nc(C(C)Nc4nc(N)nc(C)c4C#N)n(-c4ccccc4)c(=O)c23)ccn1
InChIInChI=1S/C28H24N8O2/c1-16-21(15-29)25(35-28(30)33-16)32-17(2)26-34-22-11-7-10-20(18-12-13-31-23(14-18)38-3)24(22)27(37)36(26)19-8-5-4-6-9-19/h4-14,17H,1-3H3,(H3,30,32,33,35)
InChIKeyQOIYXYUOFYLMSN-UHFFFAOYSA-N
XLogP4.18
TPSA144.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 71291808
2-[1-[(2-amino-5-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 118493648
2-amino-4-[[(1S)-1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]-N-methylpyrimidine-5-carboxamide
CID 118493920
2-amino-N-(2-hydroxyethyl)-4-[[(1S)-1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]-N-methylpyrimidine-5-carboxamide
CID 118493925
2-amino-4-[1-[5-(6-methoxy-2-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78051475
2-amino-4-[[(1S)-1-[5-(4-methoxyphenyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118493653
2-amino-4-[1-(4-oxo-3-phenyl-5-pyridazin-4-ylquinazolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 71269931
2-amino-4-[[(1S)-1-(4-oxo-3-phenyl-5-pyridazin-4-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71269930
4-amino-2-[[(1S)-1-[5-(2-methyl-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]benzonitrile
CID 90291011
N-[4-[2-[(1R)-1-[(2-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]-2-pyridinyl]methanesulfonamide
CID 118493878
2-amino-4-[[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118493729
2-amino-4-[1-[5-(4-chlorophenyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493967

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile (CID 118493738) is 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile is COc1cc(-c2cccc3nc(C(C)Nc4nc(N)nc(C)c4C#N)n(-c4ccccc4)c(=O)c23)ccn1.
What is the InChIKey of 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile?
The InChIKey is QOIYXYUOFYLMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O2/c1-16-21(15-29)25(35-28(30)33-16)32-17(2)26-34-22-11-7-10-20(18-12-13-31-23(14-18)38-3)24(22)27(37)36(26)19-8-5-4-6-9-19/h4-14,17H,1-3H3,(H3,30,32,33,35).
What are the key properties of 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile?
2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile has a molecular weight of 504.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 118493738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).