5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

C19H23FN6O2 — CID 23646063

IUPAC5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCCN(C)C)ccc2[nH]1
InChIInChI=1S/C19H23FN6O2/c1-12-9-13-15(25-12)5-6-16(17(13)20)28-19-14(18(21)22-11-23-19)10-24-27-8-4-7-26(2)3/h5-6,9-11,25H,4,7-8H2,1-3H3,(H2,21,22,23)/b24-10+
InChIKeyBKDLAIFMKAORSS-YSURURNPSA-N
MW386.43 g/mol
LogP3.08
Rot. Bonds8

About 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 23646063) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID23646063
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCCN(C)C)ccc2[nH]1
InChIInChI=1S/C19H23FN6O2/c1-12-9-13-15(25-12)5-6-16(17(13)20)28-19-14(18(21)22-11-23-19)10-24-27-8-4-7-26(2)3/h5-6,9-11,25H,4,7-8H2,1-3H3,(H2,21,22,23)/b24-10+
InChIKeyBKDLAIFMKAORSS-YSURURNPSA-N
XLogP3.08
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 23646063) is 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCCN(C)C)ccc2[nH]1.
What is the InChIKey of 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is BKDLAIFMKAORSS-YSURURNPSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-12-9-13-15(25-12)5-6-16(17(13)20)28-19-14(18(21)22-11-23-19)10-24-27-8-4-7-26(2)3/h5-6,9-11,25H,4,7-8H2,1-3H3,(H2,21,22,23)/b24-10+.
What are the key properties of 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 23646063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).