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

C23H26N4O — CID 112880478

IUPACN-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
SMILESCOCCCNc1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-20(19)27(17)22-16-21(24-13-8-14-28-2)25-23(26-22)18-9-4-3-5-10-18/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26)
InChIKeyWXTIJWUISKNSBM-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.67
Rot. Bonds7

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

N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112880478) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID112880478
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
SMILESCOCCCNc1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-20(19)27(17)22-16-21(24-13-8-14-28-2)25-23(26-22)18-9-4-3-5-10-18/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26)
InChIKeyWXTIJWUISKNSBM-UHFFFAOYSA-N
XLogP4.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.67
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)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
CID 112935236
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
N-(3-methoxypropyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
4-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880380
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854263
azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
4-N-[(2-methoxyphenyl)methyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880393
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880214

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine (CID 112880478) is N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine is COCCCNc1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is WXTIJWUISKNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-20(19)27(17)22-16-21(24-13-8-14-28-2)25-23(26-22)18-9-4-3-5-10-18/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine?
N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).