N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine

C21H22N4 — CID 112872223

IUPACN-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H22N4/c1-16-22-20(24(2)15-17-8-4-3-5-9-17)14-21(23-16)25-13-12-18-10-6-7-11-19(18)25/h3-11,14H,12-13,15H2,1-2H3
InChIKeyJKZBUVCWWXPYJL-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.12
Rot. Bonds4

About N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine

N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 112872223) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID112872223
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H22N4/c1-16-22-20(24(2)15-17-8-4-3-5-9-17)14-21(23-16)25-13-12-18-10-6-7-11-19(18)25/h3-11,14H,12-13,15H2,1-2H3
InChIKeyJKZBUVCWWXPYJL-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112876355
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
CID 22539480

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine (CID 112872223) is N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine is Cc1nc(N(C)Cc2ccccc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is JKZBUVCWWXPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-16-22-20(24(2)15-17-8-4-3-5-9-17)14-21(23-16)25-13-12-18-10-6-7-11-19(18)25/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine?
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112872223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).