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

C23H26N4O — CID 112935351

IUPACN-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-21(19)27(17)22-16-20(18-9-4-3-5-10-18)25-23(26-22)24-13-8-14-28-2/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26)
InChIKeyBSZMBKMTSADHOG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.67
Rot. Bonds7

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

N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112935351) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112935351
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-21(19)27(17)22-16-20(18-9-4-3-5-10-18)25-23(26-22)24-13-8-14-28-2/h3-7,9-12,16-17H,8,13-15H2,1-2H3,(H,24,25,26)
InChIKeyBSZMBKMTSADHOG-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)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
CID 112880478
4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933523
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112936856
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-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine (CID 112935351) is N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine is COCCCNc1nc(-c2ccccc2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is BSZMBKMTSADHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-15-19-11-6-7-12-21(19)27(17)22-16-20(18-9-4-3-5-10-18)25-23(26-22)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)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-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)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112935351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).