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

C74H74Cl2N20O8 — CID 159258993

IUPAC4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane
SMILESC.C.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.Nc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1
InChIInChI=1S/C19H17N5O3.C19H19N5O.C17H14ClN5O3.C17H16ClN5O.2CH4/c1-2-13-11-16-17(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;18-12-9-14-15(19-10-12)17(22-5-7-26-8-6-22)21-16(20-14)11-1-3-13(4-2-11)23(24)25;18-12-9-14-15(20-10-12)17(23-5-7-24-8-6-23)22-16(21-14)11-1-3-13(19)4-2-11;;/h2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;1-4,9-10H,5-8H2;1-4,9-10H,5-8,19H2;2*1H4
InChIKeyKWGNKBFTFRDXEN-UHFFFAOYSA-N
MW1442.44 g/mol
LogP12.96
Rot. Bonds12

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

4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane (PubChem CID 159258993) has the molecular formula C74H74Cl2N20O8 and a molecular weight of 1442.44 g/mol. Its IUPAC name is 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane.

Molecular Properties

Compound Name4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane
PubChem CID159258993
Molecular FormulaC74H74Cl2N20O8
Molecular Weight1442.44 g/mol
Exact Mass1440.54
IUPAC Name4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane
SMILESC.C.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.Nc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1
InChIInChI=1S/C19H17N5O3.C19H19N5O.C17H14ClN5O3.C17H16ClN5O.2CH4/c1-2-13-11-16-17(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;18-12-9-14-15(19-10-12)17(22-5-7-26-8-6-22)21-16(20-14)11-1-3-13(4-2-11)23(24)25;18-12-9-14-15(20-10-12)17(23-5-7-24-8-6-23)22-16(21-14)11-1-3-13(19)4-2-11;;/h2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;1-4,9-10H,5-8H2;1-4,9-10H,5-8,19H2;2*1H4
InChIKeyKWGNKBFTFRDXEN-UHFFFAOYSA-N
XLogP12.96
TPSA342.88 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.44
LogP ≤ 512.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

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'}

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494015
7-(3-chloropyridin-2-yl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030263
7-(3-chloropyridin-2-yl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030470
7-(3-chloropyridin-2-yl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665870
7-(3-chloropyridin-2-yl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665938
6-N-[2-[[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethyl-[4-(2,4-dichlorophenyl)-5-morpholin-4-ylpyrimidin-2-yl]amino]-[4-(2,4-dichlorophenyl)-5-[5-(trifluoromethyl)tetrazol-5-yl]pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 87940638
2-[[bis(2-methoxyethyl)amino]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-[(2-methylpiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158281434
7-(3-chloro-2-pyridinyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 162580336
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 10070729
7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 11157207
N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 11606107
N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030011

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane?
The IUPAC name of 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane (CID 159258993) is 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane.
What is the SMILES notation for 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane?
The canonical SMILES for 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane is C.C.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2c1.C=Cc1cnc2c(N3CCOCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2c1.Nc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.
What is the InChIKey of 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane?
The InChIKey is KWGNKBFTFRDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.C19H19N5O.C17H14ClN5O3.C17H16ClN5O.2CH4/c1-2-13-11-16-17(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;18-12-9-14-15(19-10-12)17(22-5-7-26-8-6-22)21-16(20-14)11-1-3-13(4-2-11)23(24)25;18-12-9-14-15(20-10-12)17(23-5-7-24-8-6-23)22-16(21-14)11-1-3-13(19)4-2-11;;/h2-6,11-12H,1,7-10H2;2-6,11-12H,1,7-10,20H2;1-4,9-10H,5-8H2;1-4,9-10H,5-8,19H2;2*1H4.
What are the key properties of 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane?
4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane has a molecular weight of 1442.44 g/mol, XLogP of 12.96, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)aniline;4-[7-chloro-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;4-[7-ethenyl-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;methane is sourced from PubChem (CID 159258993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).