4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine

C22H24N4O — CID 112935296

IUPAC4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N4O/c1-27-15-7-13-23-22-24-19(17-8-3-2-4-9-17)16-21(25-22)26-14-12-18-10-5-6-11-20(18)26/h2-6,8-11,16H,7,12-15H2,1H3,(H,23,24,25)
InChIKeyJIQOOMZNEKSWBU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds7

About 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine (PubChem CID 112935296) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
PubChem CID112935296
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N4O/c1-27-15-7-13-23-22-24-19(17-8-3-2-4-9-17)16-21(25-22)26-14-12-18-10-5-6-11-20(18)26/h2-6,8-11,16H,7,12-15H2,1H3,(H,23,24,25)
InChIKeyJIQOOMZNEKSWBU-UHFFFAOYSA-N
XLogP4.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933469
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112935030
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112934992
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine (CID 112935296) is 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine is COCCCNc1nc(-c2ccccc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine?
The InChIKey is JIQOOMZNEKSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-15-7-13-23-22-24-19(17-8-3-2-4-9-17)16-21(25-22)26-14-12-18-10-5-6-11-20(18)26/h2-6,8-11,16H,7,12-15H2,1H3,(H,23,24,25).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).