4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3 — CID 14809282

IUPAC4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNISJMYPRXDUYTF-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 14809282) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID14809282
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNISJMYPRXDUYTF-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
7-Deazaadenine
CID 5359620
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 14116871
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
CID 5324413
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414
5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CID 5380710
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 11106092
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
6-Chloro-7-iodo-7-deazapurine
CID 14809281
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 14809282) is 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NISJMYPRXDUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 14809282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).