N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine

C20H18N4 — CID 55346930

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
SMILESc1ccc(C(CNc2ncccn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N4/c1-2-7-15(8-3-1)17(13-24-20-21-11-6-12-22-20)18-14-23-19-10-5-4-9-16(18)19/h1-12,14,17,23H,13H2,(H,21,22,24)
InChIKeyUXBFITDVNXXXDY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine

N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine (PubChem CID 55346930) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
PubChem CID55346930
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
SMILESc1ccc(C(CNc2ncccn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N4/c1-2-7-15(8-3-1)17(13-24-20-21-11-6-12-22-20)18-14-23-19-10-5-4-9-16(18)19/h1-12,14,17,23H,13H2,(H,21,22,24)
InChIKeyUXBFITDVNXXXDY-UHFFFAOYSA-N
XLogP4.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
CID 9320368
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049467
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 93250153
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 25353510
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
6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine (CID 55346930) is N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine is c1ccc(C(CNc2ncccn2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine?
The InChIKey is UXBFITDVNXXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-7-15(8-3-1)17(13-24-20-21-11-6-12-22-20)18-14-23-19-10-5-4-9-16(18)19/h1-12,14,17,23H,13H2,(H,21,22,24).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine?
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 55346930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).