4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

C21H22N4 — CID 112889950

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccccc1CNc1nccc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4/c1-15-7-3-4-9-18(15)14-23-21-22-12-11-20(24-21)25-16(2)13-17-8-5-6-10-19(17)25/h3-12,16H,13-14H2,1-2H3,(H,22,23,24)
InChIKeyVMWYIYBUNOLYRG-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.48
Rot. Bonds4

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 112889950) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID112889950
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccccc1CNc1nccc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4/c1-15-7-3-4-9-18(15)14-23-21-22-12-11-20(24-21)25-16(2)13-17-8-5-6-10-19(17)25/h3-12,16H,13-14H2,1-2H3,(H,22,23,24)
InChIKeyVMWYIYBUNOLYRG-UHFFFAOYSA-N
XLogP4.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169666
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112885650
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112906439
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280070
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210024
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (CID 112889950) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is Cc1ccccc1CNc1nccc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is VMWYIYBUNOLYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-7-3-4-9-18(15)14-23-21-22-12-11-20(24-21)25-16(2)13-17-8-5-6-10-19(17)25/h3-12,16H,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112889950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).