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

C17H19N3O2 — CID 626776

IUPAC6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(-c2[nH]c3ccccc3c2C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H19N3O2/c1-5-13-14(16(21)20(4)17(22)19(13)3)15-10(2)11-8-6-7-9-12(11)18-15/h6-9,18H,5H2,1-4H3
InChIKeyZVOHINVPJSOESI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds2

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

6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione (PubChem CID 626776) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
PubChem CID626776
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(-c2[nH]c3ccccc3c2C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H19N3O2/c1-5-13-14(16(21)20(4)17(22)19(13)3)15-10(2)11-8-6-7-9-12(11)18-15/h6-9,18H,5H2,1-4H3
InChIKeyZVOHINVPJSOESI-UHFFFAOYSA-N
XLogP2.10
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
CID 624931
butane;2,3-dimethyl-1H-indole
CID 143059445
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
3-methyl-1H-indole-2-carbonitrile
CID 593371
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
2-[(heptylamino)methyl]-3-methyl-1H-quinolin-4-one
CID 59526954
N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72838254
bis(9H-carbazole);propane
CID 90987002
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 15054195
3-butyl-6-methyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1H-pyrimidine-2,4-dione;6-hydroxy-1,3-dimethyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione
CID 158422850

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione (CID 626776) is 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione is CCc1c(-c2[nH]c3ccccc3c2C)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
The InChIKey is ZVOHINVPJSOESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-5-13-14(16(21)20(4)17(22)19(13)3)15-10(2)11-8-6-7-9-12(11)18-15/h6-9,18H,5H2,1-4H3.
What are the key properties of 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione?
6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 626776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).