4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

C8H8ClN3 — CID 18511061

IUPAC4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(C)cc2n1
InChIInChI=1S/C8H8ClN3/c1-4-3-6-7(10-4)8(9)12-5(2)11-6/h3,10H,1-2H3
InChIKeyCQNXCCXQBKWANP-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.23
Rot. Bonds

About 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 18511061) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID18511061
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(C)cc2n1
InChIInChI=1S/C8H8ClN3/c1-4-3-6-7(10-4)8(9)12-5(2)11-6/h3,10H,1-2H3
InChIKeyCQNXCCXQBKWANP-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (CID 18511061) is 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(Cl)c2[nH]c(C)cc2n1.
What is the InChIKey of 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is CQNXCCXQBKWANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-4-3-6-7(10-4)8(9)12-5(2)11-6/h3,10H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 181.63 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 18511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).