5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

C11H17N3O — CID 90090571

IUPAC5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCc1[nH]c2c(c1CC)C(=O)NCN2
InChIInChI=1S/C11H17N3O/c1-3-5-8-7(4-2)9-10(14-8)12-6-13-11(9)15/h12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyTWZVECLUTGXTAZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds3

About 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 90090571) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID90090571
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCc1[nH]c2c(c1CC)C(=O)NCN2
InChIInChI=1S/C11H17N3O/c1-3-5-8-7(4-2)9-10(14-8)12-6-13-11(9)15/h12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyTWZVECLUTGXTAZ-UHFFFAOYSA-N
XLogP1.64
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (CID 90090571) is 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is CCCc1[nH]c2c(c1CC)C(=O)NCN2.
What is the InChIKey of 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is TWZVECLUTGXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-8-7(4-2)9-10(14-8)12-6-13-11(9)15/h12,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 90090571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).