4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C96H92N22O10 — CID 159739419

IUPAC4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESC=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(O)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C20H20N4O2.C19H17N5O3.C19H19N5O.2C19H18N4O2/c1-2-14-11-17-18(21-12-14)20(24-6-8-26-9-7-24)23-19(22-17)16-5-3-4-15(10-16)13-25;1-2-13-11-16-17(20-12-13)19(23-7-9-27-10-8-23)22-18(21-16)14-3-5-15(6-4-14)24(25)26;1-2-13-11-16-17(21-12-13)19(24-7-9-25-10-8-24)23-18(22-16)14-3-5-15(20)6-4-14;1-2-13-11-16-17(20-12-13)19(23-7-9-25-10-8-23)22-18(21-16)14-3-5-15(24)6-4-14;1-2-13-10-16-17(20-12-13)19(23-6-8-25-9-7-23)22-18(21-16)14-4-3-5-15(24)11-14/h2-5,10-12,25H,1,6-9,13H2;2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;2-6,11-12,24H,1,7-10H2;2-5,10-12,24H,1,6-9H2
InChIKeyNCGIKCXGAQVDID-UHFFFAOYSA-N
MW1713.94 g/mol
LogP14.25
Rot. Bonds17

About 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 159739419) has the molecular formula C96H92N22O10 and a molecular weight of 1713.94 g/mol. Its IUPAC name is 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID159739419
Molecular FormulaC96H92N22O10
Molecular Weight1713.94 g/mol
Exact Mass1712.74
IUPAC Name4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESC=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(O)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C20H20N4O2.C19H17N5O3.C19H19N5O.2C19H18N4O2/c1-2-14-11-17-18(21-12-14)20(24-6-8-26-9-7-24)23-19(22-17)16-5-3-4-15(10-16)13-25;1-2-13-11-16-17(20-12-13)19(23-7-9-27-10-8-23)22-18(21-16)14-3-5-15(6-4-14)24(25)26;1-2-13-11-16-17(21-12-13)19(24-7-9-25-10-8-24)23-18(22-16)14-3-5-15(20)6-4-14;1-2-13-11-16-17(20-12-13)19(23-7-9-25-10-8-23)22-18(21-16)14-3-5-15(24)6-4-14;1-2-13-10-16-17(20-12-13)19(23-6-8-25-9-7-23)22-18(21-16)14-4-3-5-15(24)11-14/h2-5,10-12,25H,1,6-9,13H2;2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;2-6,11-12,24H,1,7-10H2;2-5,10-12,24H,1,6-9H2
InChIKeyNCGIKCXGAQVDID-UHFFFAOYSA-N
XLogP14.25
TPSA385.55 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001713.94
LogP ≤ 514.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

2-Fluoro-4-(trifluoromethyl)pyridine;4-(2-hydroxyethyl)phenol;5-nitro-6-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidin-4-amine;2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol;4-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pteridine;6-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine-4,5-diamine
CID 157755413
3-[4-Morpholin-4-yl-7-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 73055728
3-[7-[(4-Cyclohexylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 90038016
3-[4-Morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 90038263
3-[4-Morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 118237198
3-[7-(2-Hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123629573
3-[7-[1-(Hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123739007
3-[4-Morpholin-4-yl-7-[[4-(nitromethyl)triazol-1-yl]methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994233
3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994405
Methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 144572817
Methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 144572840
4-(2-Anilino-1-hydroxyethyl)phenol;4-[2-[butyl(methyl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-(4-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(3-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(4-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(4-phenylanilino)ethyl]phenol;4-[1-hydroxy-2-(pyrimidin-2-ylamino)ethyl]phenol
CID 157416818

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 159739419) is 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(O)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is NCGIKCXGAQVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C19H17N5O3.C19H19N5O.2C19H18N4O2/c1-2-14-11-17-18(21-12-14)20(24-6-8-26-9-7-24)23-19(22-17)16-5-3-4-15(10-16)13-25;1-2-13-11-16-17(20-12-13)19(23-7-9-27-10-8-23)22-18(21-16)14-3-5-15(6-4-14)24(25)26;1-2-13-11-16-17(21-12-13)19(24-7-9-25-10-8-24)23-18(22-16)14-3-5-15(20)6-4-14;1-2-13-11-16-17(20-12-13)19(23-7-9-25-10-8-23)22-18(21-16)14-3-5-15(24)6-4-14;1-2-13-10-16-17(20-12-13)19(23-6-8-25-9-7-23)22-18(21-16)14-4-3-5-15(24)11-14/h2-5,10-12,25H,1,6-9,13H2;2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;2-6,11-12,24H,1,7-10H2;2-5,10-12,24H,1,6-9H2.
What are the key properties of 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 1713.94 g/mol, XLogP of 14.25, 17 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-ethenyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159739419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).