N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine

C20H20N4 — CID 112890854

IUPACN-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H20N4/c1-23(15-16-7-3-2-4-8-16)19-11-13-21-20(22-19)24-14-12-17-9-5-6-10-18(17)24/h2-11,13H,12,14-15H2,1H3
InChIKeySULWPTBOUGCORJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.81
Rot. Bonds4

About N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine

N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 112890854) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
PubChem CID112890854
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H20N4/c1-23(15-16-7-3-2-4-8-16)19-11-13-21-20(22-19)24-14-12-17-9-5-6-10-18(17)24/h2-11,13H,12,14-15H2,1H3
InChIKeySULWPTBOUGCORJ-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
CID 24834345
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
CID 22539480
N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112962725
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine (CID 112890854) is N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine is CN(Cc1ccccc1)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is SULWPTBOUGCORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-23(15-16-7-3-2-4-8-16)19-11-13-21-20(22-19)24-14-12-17-9-5-6-10-18(17)24/h2-11,13H,12,14-15H2,1H3.
What are the key properties of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine?
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112890854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).