2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one

C27H25N7O2 — CID 144954610

IUPAC2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2cccc3nc([C@@H](C)Nc4nc(C)ncc4C)n(-c4ccccc4)c(=O)c23)cn1
InChIInChI=1S/C27H25N7O2/c1-16-13-28-18(3)32-24(16)31-17(2)25-33-22-12-8-11-21(19-14-29-27(36-4)30-15-19)23(22)26(35)34(25)20-9-6-5-7-10-20/h5-15,17H,1-4H3,(H,28,31,32)/t17-/m1/s1
InChIKeyCBTRYSWNPAEHPX-QGZVFWFLSA-N
MW479.54 g/mol
LogP4.43
Rot. Bonds6

About 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one

2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one (PubChem CID 144954610) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
PubChem CID144954610
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2cccc3nc([C@@H](C)Nc4nc(C)ncc4C)n(-c4ccccc4)c(=O)c23)cn1
InChIInChI=1S/C27H25N7O2/c1-16-13-28-18(3)32-24(16)31-17(2)25-33-22-12-8-11-21(19-14-29-27(36-4)30-15-19)23(22)26(35)34(25)20-9-6-5-7-10-20/h5-15,17H,1-4H3,(H,28,31,32)/t17-/m1/s1
InChIKeyCBTRYSWNPAEHPX-QGZVFWFLSA-N
XLogP4.43
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one with MolForge

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Related Compounds

2-[(1S)-1-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-(2-methylpyrimidin-5-yl)-3-phenylquinazolin-4-one
CID 71242394
2-[1-[[2-amino-5-(2-aminoethanethioyl)pyrimidin-4-yl]amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one
CID 123876105
4-[[(1S)-1-[8-(2-methoxypyrimidin-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide
CID 71274289
2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 71291808
2-amino-4-[[(1S)-1-[5-(4-methoxyphenyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118493653
2-[1-[(5-fluoroquinazolin-4-yl)amino]ethyl]-3-phenyl-5-pyrimidin-5-ylquinazolin-4-one
CID 155191467
2-amino-4-[1-[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile
CID 118493738
2-[1-[(2-amino-5-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 118493648
3-[1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 144543755
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-cyano-N'-[1-[5-(2-methoxypyrimidin-5-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-N-methylidenebutanimidamide
CID 123968262
2-amino-4-[1-[5-(5-methoxypyrimidin-2-yl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118494025

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one (CID 144954610) is 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one is COc1ncc(-c2cccc3nc([C@@H](C)Nc4nc(C)ncc4C)n(-c4ccccc4)c(=O)c23)cn1.
What is the InChIKey of 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one?
The InChIKey is CBTRYSWNPAEHPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-16-13-28-18(3)32-24(16)31-17(2)25-33-22-12-8-11-21(19-14-29-27(36-4)30-15-19)23(22)26(35)34(25)20-9-6-5-7-10-20/h5-15,17H,1-4H3,(H,28,31,32)/t17-/m1/s1.
What are the key properties of 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one?
2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one has a molecular weight of 479.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-5-(2-methoxypyrimidin-5-yl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 144954610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).