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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Related Compounds

6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-5-iodo-2-methyl-N-(1-propoxypropyl)pyrimidin-4-amine
CID 18452773
5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
CID 18452783
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
CID 70101713
5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
CID 10292096
1-[6-(1-methoxypentan-3-ylamino)-2-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]pyrimidin-4-yl]pyrrolidin-2-one
CID 143952965
7-chloro-1-[1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 57194734
4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 57103017
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
CID 10201774
CID 89383890
CID 89383890
2-chloro-6-ethyl-N-(9-methoxynonan-3-yl)pyrimidin-4-amine
CID 131716403
N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 106181967
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889

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).