4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane

C67H75N23O7 — CID 157319410

IUPAC4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane
SMILESCCCN=O.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.O=[N+]([O-])c1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1
InChIInChI=1S/C24H28N8O2.C20H19N7O3.C20H21N7O.C3H7NO/c1-2-8-27-24(33)28-18-6-4-17(5-7-18)21-29-20-16-32(23-25-9-3-10-26-23)15-19(20)22(30-21)31-11-13-34-14-12-31;28-27(29)15-4-2-14(3-5-15)18-23-17-13-26(20-21-6-1-7-22-20)12-16(17)19(24-18)25-8-10-30-11-9-25;21-15-4-2-14(3-5-15)18-24-17-13-27(20-22-6-1-7-23-20)12-16(17)19(25-18)26-8-10-28-11-9-26;1-2-3-4-5/h3-7,9-10H,2,8,11-16H2,1H3,(H2,27,28,33);1-7H,8-13H2;1-7H,8-13,21H2;2-3H2,1H3
InChIKeyBDZHTEAFHAVJJI-UHFFFAOYSA-N
MW1314.49 g/mol
LogP8.06
Rot. Bonds15

About 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane

4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane (PubChem CID 157319410) has the molecular formula C67H75N23O7 and a molecular weight of 1314.49 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane
PubChem CID157319410
Molecular FormulaC67H75N23O7
Molecular Weight1314.49 g/mol
Exact Mass1313.62
IUPAC Name4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane
SMILESCCCN=O.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.O=[N+]([O-])c1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1
InChIInChI=1S/C24H28N8O2.C20H19N7O3.C20H21N7O.C3H7NO/c1-2-8-27-24(33)28-18-6-4-17(5-7-18)21-29-20-16-32(23-25-9-3-10-26-23)15-19(20)22(30-21)31-11-13-34-14-12-31;28-27(29)15-4-2-14(3-5-15)18-23-17-13-26(20-21-6-1-7-22-20)12-16(17)19(24-18)25-8-10-30-11-9-25;21-15-4-2-14(3-5-15)18-24-17-13-27(20-22-6-1-7-23-20)12-16(17)19(25-18)26-8-10-28-11-9-26;1-2-3-4-5/h3-7,9-10H,2,8,11-16H2,1H3,(H2,27,28,33);1-7H,8-13H2;1-7H,8-13,21H2;2-3H2,1H3
InChIKeyBDZHTEAFHAVJJI-UHFFFAOYSA-N
XLogP8.06
TPSA341.53 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001314.49
LogP ≤ 58.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

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-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane with MolForge

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Related Compounds

1-{4-[4-Morpholin-4-yl-7-(2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44601278
1-{4-[4-morpholin-4-yl-7-(2-piperidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44601279
1-{4-[7-(2-{[2-(Dimethylamino)ethyl]amino}ethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44601448
1-(4-{7-[2-(4-Methylpiperazin-1-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-pyridin-4-ylurea
CID 44601449
1-{4-[4-morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44601450
1-ethyl-3-(4-(4-morpholino-6-(pyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 59239206
1-ethyl-3-[4-[6-(5-fluoropyrimidin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239100
1-Ethyl-3-[4-[6-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67178827
2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
CID 158892143
Ethyl 1-ethylimidazole-2-carboxylate;(1-ethyl-4-nitroimidazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-[1-ethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)imidazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-isocyanato-4-(trifluoromethyl)benzene;1-pyridin-2-ylpiperazine
CID 159118572
6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
CID 161541170
1-Methyl-3-[4-[6-morpholin-4-yl-9-[1-(pyridin-3-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]urea
CID 25073698

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane?
The IUPAC name of 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane (CID 157319410) is 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane?
The canonical SMILES for 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane is CCCN=O.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.O=[N+]([O-])c1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane?
The InChIKey is BDZHTEAFHAVJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2.C20H19N7O3.C20H21N7O.C3H7NO/c1-2-8-27-24(33)28-18-6-4-17(5-7-18)21-29-20-16-32(23-25-9-3-10-26-23)15-19(20)22(30-21)31-11-13-34-14-12-31;28-27(29)15-4-2-14(3-5-15)18-23-17-13-26(20-21-6-1-7-22-20)12-16(17)19(24-18)25-8-10-30-11-9-25;21-15-4-2-14(3-5-15)18-24-17-13-27(20-22-6-1-7-23-20)12-16(17)19(25-18)26-8-10-28-11-9-26;1-2-3-4-5/h3-7,9-10H,2,8,11-16H2,1H3,(H2,27,28,33);1-7H,8-13H2;1-7H,8-13,21H2;2-3H2,1H3.
What are the key properties of 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane?
4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane has a molecular weight of 1314.49 g/mol, XLogP of 8.06, 15 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)aniline;1-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-propylurea;4-[2-(4-nitrophenyl)-6-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine;1-nitrosopropane is sourced from PubChem (CID 157319410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).