2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine

C11H14ClN3 — CID 58015932

IUPAC2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCCC(CC)n1ccc2cnc(Cl)nc21
InChIInChI=1S/C11H14ClN3/c1-3-9(4-2)15-6-5-8-7-13-11(12)14-10(8)15/h5-7,9H,3-4H2,1-2H3
InChIKeyYWICSOZDCVYNQD-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine

2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 58015932) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine
PubChem CID58015932
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCCC(CC)n1ccc2cnc(Cl)nc21
InChIInChI=1S/C11H14ClN3/c1-3-9(4-2)15-6-5-8-7-13-11(12)14-10(8)15/h5-7,9H,3-4H2,1-2H3
InChIKeyYWICSOZDCVYNQD-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11564772
N-cyclohexyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083227
N-cyclopentyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083230
2-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine
CID 18008429
4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 49855558
N-cycloheptyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 49855750
N-cyclooctyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 49855751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine (CID 58015932) is 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine is CCC(CC)n1ccc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is YWICSOZDCVYNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-9(4-2)15-6-5-8-7-13-11(12)14-10(8)15/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine?
2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 223.71 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58015932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).