(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide

C18H17N5O — CID 942205

IUPAC(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C18H17N5O/c1-11-8-12(2)21-18(20-11)23(10-19)9-16(24)17-13(3)22-15-7-5-4-6-14(15)17/h4-8,22H,9H2,1-3H3
InChIKeyGRWLWDBIOUDNAJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.05
Rot. Bonds4

About (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide

(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide (PubChem CID 942205) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide
PubChem CID942205
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C18H17N5O/c1-11-8-12(2)21-18(20-11)23(10-19)9-16(24)17-13(3)22-15-7-5-4-6-14(15)17/h4-8,22H,9H2,1-3H3
InChIKeyGRWLWDBIOUDNAJ-UHFFFAOYSA-N
XLogP3.05
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile
CID 7912469
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide (CID 942205) is (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide is Cc1cc(C)nc(N(C#N)CC(=O)c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide?
The InChIKey is GRWLWDBIOUDNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-8-12(2)21-18(20-11)23(10-19)9-16(24)17-13(3)22-15-7-5-4-6-14(15)17/h4-8,22H,9H2,1-3H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide?
(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide has a molecular weight of 319.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide is sourced from PubChem (CID 942205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).