1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C10H13N3O2 — CID 3041224

IUPAC1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2cc[nH]c2n(CC)c1=O
InChIInChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3
InChIKeyUWZMYTIVXOEQDV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.53
Rot. Bonds2

About 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 3041224) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID3041224
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2cc[nH]c2n(CC)c1=O
InChIInChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3
InChIKeyUWZMYTIVXOEQDV-UHFFFAOYSA-N
XLogP0.53
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 3041224) is 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2cc[nH]c2n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UWZMYTIVXOEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3041224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).