4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C8H10ClN3 — CID 115016606

IUPAC4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)CNC2C
InChIInChI=1S/C8H10ClN3/c1-4-7-6(3-10-4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3
InChIKeyXQEMXPVEDOIXNQ-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.60
Rot. Bonds

About 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 115016606) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID115016606
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)CNC2C
InChIInChI=1S/C8H10ClN3/c1-4-7-6(3-10-4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3
InChIKeyXQEMXPVEDOIXNQ-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 115016606) is 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc(Cl)c2c(n1)CNC2C.
What is the InChIKey of 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is XQEMXPVEDOIXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-4-7-6(3-10-4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 183.64 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 115016606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).