2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one

C26H24N8O2 — CID 71291808

IUPAC2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
SMILESCOc1cc(-c2cccc3nc([C@H](C)Nc4nc(N)ncc4N)n(-c4ccccc4)c(=O)c23)ccn1
InChIInChI=1S/C26H24N8O2/c1-15(31-23-19(27)14-30-26(28)33-23)24-32-20-10-6-9-18(16-11-12-29-21(13-16)36-2)22(20)25(35)34(24)17-7-4-3-5-8-17/h3-15H,27H2,1-2H3,(H3,28,30,31,33)/t15-/m0/s1
InChIKeyDLWWIEMCNQRTAP-HNNXBMFYSA-N
MW480.53 g/mol
LogP3.58
Rot. Bonds6

About 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one

2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one (PubChem CID 71291808) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
PubChem CID71291808
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
SMILESCOc1cc(-c2cccc3nc([C@H](C)Nc4nc(N)ncc4N)n(-c4ccccc4)c(=O)c23)ccn1
InChIInChI=1S/C26H24N8O2/c1-15(31-23-19(27)14-30-26(28)33-23)24-32-20-10-6-9-18(16-11-12-29-21(13-16)36-2)22(20)25(35)34(24)17-7-4-3-5-8-17/h3-15H,27H2,1-2H3,(H3,28,30,31,33)/t15-/m0/s1
InChIKeyDLWWIEMCNQRTAP-HNNXBMFYSA-N
XLogP3.58
TPSA146.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one with MolForge

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Related Compounds

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-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]-6-methylpyrimidine-5-carbonitrile
CID 118493738
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
N-[4-[2-[(1R)-1-[(2-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]-2-pyridinyl]methanesulfonamide
CID 118493878
5-(2-methoxy-4-pyridinyl)-3-phenyl-2-(4-sulfanylpentan-2-yl)quinazolin-4-one
CID 144954600
2-amino-4-[1-[5-(5-methoxypyrimidin-2-yl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118494025
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
3-[1-[[2-amino-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 78060360

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one (CID 71291808) is 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one is COc1cc(-c2cccc3nc([C@H](C)Nc4nc(N)ncc4N)n(-c4ccccc4)c(=O)c23)ccn1.
What is the InChIKey of 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one?
The InChIKey is DLWWIEMCNQRTAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-15(31-23-19(27)14-30-26(28)33-23)24-32-20-10-6-9-18(16-11-12-29-21(13-16)36-2)22(20)25(35)34(24)17-7-4-3-5-8-17/h3-15H,27H2,1-2H3,(H3,28,30,31,33)/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one?
2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one has a molecular weight of 480.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 71291808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).