N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

C24H25N5O — CID 109372692

IUPACN-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-24(30)21-13-22(28-17(3)27-21)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,29,30)(H,25,27,28)
InChIKeyHUTISOVAEXXYEY-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.79
Rot. Bonds6

About N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372692) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109372692
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-24(30)21-13-22(28-17(3)27-21)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,29,30)(H,25,27,28)
InChIKeyHUTISOVAEXXYEY-UHFFFAOYSA-N
XLogP4.79
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372186
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
2-[[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194862
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109372692) is N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is HUTISOVAEXXYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-24(30)21-13-22(28-17(3)27-21)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,29,30)(H,25,27,28).
What are the key properties of N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).