6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine

C20H27ClN4O2 — CID 10293807

IUPAC6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine
SMILESCCC(CCOC)Nc1cc(N2CCc3cc(OC)cc(Cl)c32)nc(C)n1
InChIInChI=1S/C20H27ClN4O2/c1-5-15(7-9-26-3)24-18-12-19(23-13(2)22-18)25-8-6-14-10-16(27-4)11-17(21)20(14)25/h10-12,15H,5-9H2,1-4H3,(H,22,23,24)
InChIKeyQKJIMFZBFLOJJA-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.37
Rot. Bonds8

About 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine

6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine (PubChem CID 10293807) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine
PubChem CID10293807
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine
SMILESCCC(CCOC)Nc1cc(N2CCc3cc(OC)cc(Cl)c32)nc(C)n1
InChIInChI=1S/C20H27ClN4O2/c1-5-15(7-9-26-3)24-18-12-19(23-13(2)22-18)25-8-6-14-10-16(27-4)11-17(21)20(14)25/h10-12,15H,5-9H2,1-4H3,(H,22,23,24)
InChIKeyQKJIMFZBFLOJJA-UHFFFAOYSA-N
XLogP4.37
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine (CID 10293807) is 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine is CCC(CCOC)Nc1cc(N2CCc3cc(OC)cc(Cl)c32)nc(C)n1.
What is the InChIKey of 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine?
The InChIKey is QKJIMFZBFLOJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-5-15(7-9-26-3)24-18-12-19(23-13(2)22-18)25-8-6-14-10-16(27-4)11-17(21)20(14)25/h10-12,15H,5-9H2,1-4H3,(H,22,23,24).
What are the key properties of 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine?
6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine has a molecular weight of 390.92 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 10293807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).