N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine

C24H23FN6O4 — CID 153406296

IUPACN-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N2CCOCC2)c(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C24H23FN6O4/c1-29-14-16(15-5-3-4-6-19(15)29)23-21(30-7-9-35-10-8-30)13-26-24(28-23)27-18-12-20(31(32)33)17(25)11-22(18)34-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyFMCYIMRMSAOVRX-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.27
Rot. Bonds6

About N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine

N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine (PubChem CID 153406296) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine
PubChem CID153406296
Molecular FormulaC24H23FN6O4
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC NameN-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N2CCOCC2)c(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C24H23FN6O4/c1-29-14-16(15-5-3-4-6-19(15)29)23-21(30-7-9-35-10-8-30)13-26-24(28-23)27-18-12-20(31(32)33)17(25)11-22(18)34-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyFMCYIMRMSAOVRX-UHFFFAOYSA-N
XLogP4.27
TPSA107.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-fluoro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
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N~4~-Methyl-N~2~-[2-Methyl-1-(2-Phenoxyphenyl)-1h-Indol-6-Yl]pyrimidine-2,4-Diamine
CID 121005806
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CID 118578939
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
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CID 141740778
(Z)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-fluoro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4-methylpent-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine (CID 153406296) is N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine is COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N2CCOCC2)c(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is FMCYIMRMSAOVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4/c1-29-14-16(15-5-3-4-6-19(15)29)23-21(30-7-9-35-10-8-30)13-26-24(28-23)27-18-12-20(31(32)33)17(25)11-22(18)34-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28).
What are the key properties of N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine?
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 478.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 153406296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).