1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione

C16H17N3O2 — CID 624931

IUPAC1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
SMILESCc1c(-c2c(C)n(C)c(=O)n(C)c2=O)[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-9-11-7-5-6-8-12(11)17-14(9)13-10(2)18(3)16(21)19(4)15(13)20/h5-8,17H,1-4H3
InChIKeyWAZUPIWRUUDZOF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.85
Rot. Bonds1

About 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione

1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione (PubChem CID 624931) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
PubChem CID624931
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
SMILESCc1c(-c2c(C)n(C)c(=O)n(C)c2=O)[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-9-11-7-5-6-8-12(11)17-14(9)13-10(2)18(3)16(21)19(4)15(13)20/h5-8,17H,1-4H3
InChIKeyWAZUPIWRUUDZOF-UHFFFAOYSA-N
XLogP1.85
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
CID 626776
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
CID 142130095
1,2-dimethyl-9H-carbazole-3,4-dione
CID 15817402
5-methyl-7H-indolo[2,3-c]quinolin-6-one
CID 21445425
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
3-methyl-1H-indole-2-carbonitrile
CID 593371
N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72838254
1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
CID 123623566
3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
1,3,6-trimethyl-5-(2-phenyl-1,3-benzoxazol-5-yl)pyrimidine-2,4-dione
CID 56854430
10H-acridin-9-one;ethane
CID 91525380

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione (CID 624931) is 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione is Cc1c(-c2c(C)n(C)c(=O)n(C)c2=O)[nH]c2ccccc12.
What is the InChIKey of 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The InChIKey is WAZUPIWRUUDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-11-7-5-6-8-12(11)17-14(9)13-10(2)18(3)16(21)19(4)15(13)20/h5-8,17H,1-4H3.
What are the key properties of 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 624931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).