2-chloro-8-methyl-6,7-dihydro-5H-pteridine

C7H9ClN4 — CID 55252657

IUPAC2-chloro-8-methyl-6,7-dihydro-5H-pteridine
SMILESCN1CCNc2cnc(Cl)nc21
InChIInChI=1S/C7H9ClN4/c1-12-3-2-9-5-4-10-7(8)11-6(5)12/h4,9H,2-3H2,1H3
InChIKeyJAOCALWYCRAAPN-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.99
Rot. Bonds

About 2-chloro-8-methyl-6,7-dihydro-5H-pteridine

2-chloro-8-methyl-6,7-dihydro-5H-pteridine (PubChem CID 55252657) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-8-methyl-6,7-dihydro-5H-pteridine.

Molecular Properties

Compound Name2-chloro-8-methyl-6,7-dihydro-5H-pteridine
PubChem CID55252657
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name2-chloro-8-methyl-6,7-dihydro-5H-pteridine
SMILESCN1CCNc2cnc(Cl)nc21
InChIInChI=1S/C7H9ClN4/c1-12-3-2-9-5-4-10-7(8)11-6(5)12/h4,9H,2-3H2,1H3
InChIKeyJAOCALWYCRAAPN-UHFFFAOYSA-N
XLogP0.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-6,7-dihydro-5H-pteridine?
The IUPAC name of 2-chloro-8-methyl-6,7-dihydro-5H-pteridine (CID 55252657) is 2-chloro-8-methyl-6,7-dihydro-5H-pteridine.
What is the SMILES notation for 2-chloro-8-methyl-6,7-dihydro-5H-pteridine?
The canonical SMILES for 2-chloro-8-methyl-6,7-dihydro-5H-pteridine is CN1CCNc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-8-methyl-6,7-dihydro-5H-pteridine?
The InChIKey is JAOCALWYCRAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-12-3-2-9-5-4-10-7(8)11-6(5)12/h4,9H,2-3H2,1H3.
What are the key properties of 2-chloro-8-methyl-6,7-dihydro-5H-pteridine?
2-chloro-8-methyl-6,7-dihydro-5H-pteridine has a molecular weight of 184.63 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-6,7-dihydro-5H-pteridine is sourced from PubChem (CID 55252657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).