4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

C21H22N4 — CID 112890774

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2c3ccccc3CC2C)n1)c1ccccc1
InChIInChI=1S/C21H22N4/c1-15-14-18-10-6-7-11-19(18)25(15)20-12-13-22-21(24-20)23-16(2)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3,(H,22,23,24)
InChIKeyXSWGDIHXEZXLLR-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.73
Rot. Bonds4

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112890774) 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-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112890774
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2c3ccccc3CC2C)n1)c1ccccc1
InChIInChI=1S/C21H22N4/c1-15-14-18-10-6-7-11-19(18)25(15)20-12-13-22-21(24-20)23-16(2)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3,(H,22,23,24)
InChIKeyXSWGDIHXEZXLLR-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112905248
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112906439
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154
(4S,5R)-5-methyl-4-phenyl-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489715
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112885650
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (CID 112890774) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(N2c3ccccc3CC2C)n1)c1ccccc1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is XSWGDIHXEZXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-14-18-10-6-7-11-19(18)25(15)20-12-13-22-21(24-20)23-16(2)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.73, 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-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112890774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).