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

C8H12ClN3 — CID 155687907

IUPAC4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
SMILESC.Cc1nc(Cl)c2c(n1)CNC2
InChIInChI=1S/C7H8ClN3.CH4/c1-4-10-6-3-9-2-5(6)7(8)11-4;/h9H,2-3H2,1H3;1H4
InChIKeyTZUXNPJFWPJXLC-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.68
Rot. Bonds

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

4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane (PubChem CID 155687907) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane.

Molecular Properties

Compound Name4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
PubChem CID155687907
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
SMILESC.Cc1nc(Cl)c2c(n1)CNC2
InChIInChI=1S/C7H8ClN3.CH4/c1-4-10-6-3-9-2-5(6)7(8)11-4;/h9H,2-3H2,1H3;1H4
InChIKeyTZUXNPJFWPJXLC-UHFFFAOYSA-N
XLogP1.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane?
The IUPAC name of 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane (CID 155687907) is 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane.
What is the SMILES notation for 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane?
The canonical SMILES for 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane is C.Cc1nc(Cl)c2c(n1)CNC2.
What is the InChIKey of 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane?
The InChIKey is TZUXNPJFWPJXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3.CH4/c1-4-10-6-3-9-2-5(6)7(8)11-4;/h9H,2-3H2,1H3;1H4.
What are the key properties of 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane?
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane has a molecular weight of 185.66 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane is sourced from PubChem (CID 155687907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).