2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one

C26H27N7O3 — CID 144954726

IUPAC2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
SMILESCc1cccc2nc(C(C)Nc3nc(N)ncc3C(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C26H27N7O3/c1-16-7-6-10-20-21(16)25(35)33(18-8-4-3-5-9-18)23(30-20)17(2)29-22-19(15-28-26(27)31-22)24(34)32-11-13-36-14-12-32/h3-10,15,17H,11-14H2,1-2H3,(H3,27,28,29,31)
InChIKeyKMNUJAKMBOKZPH-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.71
Rot. Bonds5

About 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one

2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one (PubChem CID 144954726) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
PubChem CID144954726
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
SMILESCc1cccc2nc(C(C)Nc3nc(N)ncc3C(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C26H27N7O3/c1-16-7-6-10-20-21(16)25(35)33(18-8-4-3-5-9-18)23(30-20)17(2)29-22-19(15-28-26(27)31-22)24(34)32-11-13-36-14-12-32/h3-10,15,17H,11-14H2,1-2H3,(H3,27,28,29,31)
InChIKeyKMNUJAKMBOKZPH-UHFFFAOYSA-N
XLogP2.71
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(1R)-1-[[2-amino-5-(azetidine-1-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
CID 118494011
2-[1-[[2-amino-5-(azetidine-1-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
CID 118493471
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
CID 11611303
2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118494006
2-amino-N-(2-hydroxyethyl)-4-[1-[5-(2-methyl-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carboxamide
CID 144954583
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-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
2-[1-[[2-amino-5-(2-aminoethanethioyl)pyrimidin-4-yl]amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
CID 123876105
2-[(1S)-1-[[2-amino-5-(furan-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 118494066
3-[1-[[2-amino-5-(azetidine-1-carbonyl)pyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 78060140
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-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one (CID 144954726) is 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one is Cc1cccc2nc(C(C)Nc3nc(N)ncc3C(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one?
The InChIKey is KMNUJAKMBOKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16-7-6-10-20-21(16)25(35)33(18-8-4-3-5-9-18)23(30-20)17(2)29-22-19(15-28-26(27)31-22)24(34)32-11-13-36-14-12-32/h3-10,15,17H,11-14H2,1-2H3,(H3,27,28,29,31).
What are the key properties of 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one?
2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one has a molecular weight of 485.55 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-amino-5-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144954726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).