N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine

C21H20N4O — CID 9320368

IUPACN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H20N4O/c1-26-20-11-12-22-21(25-20)24-13-17(15-7-3-2-4-8-15)18-14-23-19-10-6-5-9-16(18)19/h2-12,14,17,23H,13H2,1H3,(H,22,24,25)/t17-/m1/s1
InChIKeyZSOWRAORUDJESE-QGZVFWFLSA-N
MW344.42 g/mol
LogP4.21
Rot. Bonds6

About N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine (PubChem CID 9320368) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
PubChem CID9320368
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H20N4O/c1-26-20-11-12-22-21(25-20)24-13-17(15-7-3-2-4-8-15)18-14-23-19-10-6-5-9-16(18)19/h2-12,14,17,23H,13H2,1H3,(H,22,24,25)/t17-/m1/s1
InChIKeyZSOWRAORUDJESE-QGZVFWFLSA-N
XLogP4.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049467
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113380
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113383
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 93250153
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8766523
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine (CID 9320368) is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is ZSOWRAORUDJESE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O/c1-26-20-11-12-22-21(25-20)24-13-17(15-7-3-2-4-8-15)18-14-23-19-10-6-5-9-16(18)19/h2-12,14,17,23H,13H2,1H3,(H,22,24,25)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine?
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 9320368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).