N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine

C23H26N4 — CID 112876095

IUPACN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(N2CCc3ccccc32)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C23H26N4/c1-17(2)27(16-19-9-5-4-6-10-19)23-15-22(24-18(3)25-23)26-14-13-20-11-7-8-12-21(20)26/h4-12,15,17H,13-14,16H2,1-3H3
InChIKeyRTUXKRGNLDBIMF-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.89
Rot. Bonds5

About N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine

N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112876095) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID112876095
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(N2CCc3ccccc32)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C23H26N4/c1-17(2)27(16-19-9-5-4-6-10-19)23-15-22(24-18(3)25-23)26-14-13-20-11-7-8-12-21(20)26/h4-12,15,17H,13-14,16H2,1-3H3
InChIKeyRTUXKRGNLDBIMF-UHFFFAOYSA-N
XLogP4.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112876355
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
N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112914008
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine (CID 112876095) is N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1nc(N2CCc3ccccc32)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is RTUXKRGNLDBIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-17(2)27(16-19-9-5-4-6-10-19)23-15-22(24-18(3)25-23)26-14-13-20-11-7-8-12-21(20)26/h4-12,15,17H,13-14,16H2,1-3H3.
What are the key properties of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine?
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 4.89, 5 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)-2-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112876095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).