1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C11H15N3O2 — CID 58736802

IUPAC1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(C)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O2/c1-6-7(2)12(3)9-8(6)10(15)14(5)11(16)13(9)4/h1-5H3
InChIKeyFTXXABYYUUQJSS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.19
Rot. Bonds

About 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione

1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 58736802) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID58736802
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(C)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O2/c1-6-7(2)12(3)9-8(6)10(15)14(5)11(16)13(9)4/h1-5H3
InChIKeyFTXXABYYUUQJSS-UHFFFAOYSA-N
XLogP0.19
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopentyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135756445
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1,3,5,6-tetramethyl-
CID 215964
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1-phenyl-3,6,7-trimethyl-
CID 218468
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1,3,6-trimethyl-
CID 3041227
1,3,7-Trimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 11777856
4-Amino-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 605645
5,6-Dimethyl-2-diethylaminopyridine-3,4-dicarboxyimide
CID 612802
1H-Pyrrolo[3,4-C]pyridine-1,3(2H)-dione, 4-amino-6-methyl-7-propyl-
CID 686365
4-amino-2-methyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 686678
(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione
CID 11688355
7-Allyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 14831572
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3,6,7-tetramethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-5-yl)acetamide
CID 46385158

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 58736802) is 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1c(C)n(C)c2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FTXXABYYUUQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6-7(2)12(3)9-8(6)10(15)14(5)11(16)13(9)4/h1-5H3.
What are the key properties of 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,7-pentamethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58736802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).