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

C17H22N4O — CID 112886156

IUPACN-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1ccnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C17H22N4O/c1-13-12-14-6-3-4-7-15(14)21(13)17-19-10-8-16(20-17)18-9-5-11-22-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyGJUCCEUWICZPSC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112886156) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112886156
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1ccnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C17H22N4O/c1-13-12-14-6-3-4-7-15(14)21(13)17-19-10-8-16(20-17)18-9-5-11-22-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyGJUCCEUWICZPSC-UHFFFAOYSA-N
XLogP3.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
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)-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)-6-phenylpyrimidin-4-amine
CID 112935236
N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
CID 112880478
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112906567
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
methyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112905856
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
CID 66493775
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
2-(2-methyl-2,3-dihydroindol-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112901248
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112886156) is N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is COCCCNc1ccnc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is GJUCCEUWICZPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-12-14-6-3-4-7-15(14)21(13)17-19-10-8-16(20-17)18-9-5-11-22-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112886156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).