4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine

C14H16ClN3 — CID 138748134

IUPAC4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine
SMILESC=C(C)C1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C14H16ClN3/c1-9(2)10-3-4-11(7-10)18-6-5-12-13(15)16-8-17-14(12)18/h5-6,8,10-11H,1,3-4,7H2,2H3
InChIKeySFDDNWYMDZEFID-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.00
Rot. Bonds2

About 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine

4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 138748134) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine
PubChem CID138748134
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine
SMILESC=C(C)C1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C14H16ClN3/c1-9(2)10-3-4-11(7-10)18-6-5-12-13(15)16-8-17-14(12)18/h5-6,8,10-11H,1,3-4,7H2,2H3
InChIKeySFDDNWYMDZEFID-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine (CID 138748134) is 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine is C=C(C)C1CCC(n2ccc3c(Cl)ncnc32)C1.
What is the InChIKey of 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is SFDDNWYMDZEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(2)10-3-4-11(7-10)18-6-5-12-13(15)16-8-17-14(12)18/h5-6,8,10-11H,1,3-4,7H2,2H3.
What are the key properties of 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 261.76 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-prop-1-en-2-ylcyclopentyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138748134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).