6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

C21H22N4O — CID 112872815

IUPAC6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(N2CCc3ccccc32)nc(C)n1
InChIInChI=1S/C21H22N4O/c1-15-23-20(22-14-17-8-4-6-10-19(17)26-2)13-21(24-15)25-12-11-16-7-3-5-9-18(16)25/h3-10,13H,11-12,14H2,1-2H3,(H,22,23,24)
InChIKeyJBDASKIKLOXNPQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.10
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112872815) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112872815
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(N2CCc3ccccc32)nc(C)n1
InChIInChI=1S/C21H22N4O/c1-15-23-20(22-14-17-8-4-6-10-19(17)26-2)13-21(24-15)25-12-11-16-7-3-5-9-18(16)25/h3-10,13H,11-12,14H2,1-2H3,(H,22,23,24)
InChIKeyJBDASKIKLOXNPQ-UHFFFAOYSA-N
XLogP4.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872358
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (CID 112872815) is 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is COc1ccccc1CNc1cc(N2CCc3ccccc32)nc(C)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is JBDASKIKLOXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-23-20(22-14-17-8-4-6-10-19(17)26-2)13-21(24-15)25-12-11-16-7-3-5-9-18(16)25/h3-10,13H,11-12,14H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112872815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).