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

C23H26N4O — CID 112935236

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

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

N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112935236) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112935236
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
SMILESCOCCCNc1cc(-c2ccccc2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-21(19)27(17)23-25-20(18-9-4-3-5-10-18)16-22(26-23)24-13-8-14-28-2/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26)
InChIKeyCTZXEQZNWVZHGN-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)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
CID 112880478
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935189
4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933523
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine (CID 112935236) is N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine is COCCCNc1cc(-c2ccccc2)nc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is CTZXEQZNWVZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-21(19)27(17)23-25-20(18-9-4-3-5-10-18)16-22(26-23)24-13-8-14-28-2/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine?
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-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)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112935236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).