N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine

C21H21N5 — CID 110453278

IUPACN-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
SMILESCN(C)c1ccc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21N5/c1-26(2)16-9-7-15(8-10-16)21(25-20-11-12-22-14-24-20)18-13-23-19-6-4-3-5-17(18)19/h3-14,21,23H,1-2H3,(H,22,24,25)
InChIKeyOSHSUMSPKKAUDW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.23
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine

N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 110453278) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
PubChem CID110453278
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
SMILESCN(C)c1ccc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21N5/c1-26(2)16-9-7-15(8-10-16)21(25-20-11-12-22-14-24-20)18-13-23-19-6-4-3-5-17(18)19/h3-14,21,23H,1-2H3,(H,22,24,25)
InChIKeyOSHSUMSPKKAUDW-UHFFFAOYSA-N
XLogP4.23
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453184
4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
CID 66668765
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 25353510
N-[(5-methoxy-1H-indol-3-yl)-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453536
N-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
CID 66573206
4-[1H-indol-3-yl-(pyrimidin-2-ylamino)methyl]benzoic acid
CID 110453289
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 102051740
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-propylthiourea
CID 8660529

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine (CID 110453278) is N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine is CN(C)c1ccc(C(Nc2ccncn2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is OSHSUMSPKKAUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-26(2)16-9-7-15(8-10-16)21(25-20-11-12-22-14-24-20)18-13-23-19-6-4-3-5-17(18)19/h3-14,21,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine?
N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 110453278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).