5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C13H18N4 — CID 167907366

IUPAC5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CCC(C)C3)c12
InChIInChI=1S/C13H18N4/c1-3-10-6-14-12-11(10)13(16-8-15-12)17-5-4-9(2)7-17/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyWQCKYZFXJHJXMT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.37
Rot. Bonds2

About 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 167907366) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID167907366
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CCC(C)C3)c12
InChIInChI=1S/C13H18N4/c1-3-10-6-14-12-11(10)13(16-8-15-12)17-5-4-9(2)7-17/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyWQCKYZFXJHJXMT-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 167907366) is 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCc1c[nH]c2ncnc(N3CCC(C)C3)c12.
What is the InChIKey of 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is WQCKYZFXJHJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10-6-14-12-11(10)13(16-8-15-12)17-5-4-9(2)7-17/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167907366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).