2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine

C9H13ClN4 — CID 23422335

IUPAC2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine
SMILESCCN1CCNc2c(C)nc(Cl)nc21
InChIInChI=1S/C9H13ClN4/c1-3-14-5-4-11-7-6(2)12-9(10)13-8(7)14/h11H,3-5H2,1-2H3
InChIKeyPITFRAJPMICVRD-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine

2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine (PubChem CID 23422335) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine.

Molecular Properties

Compound Name2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine
PubChem CID23422335
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine
SMILESCCN1CCNc2c(C)nc(Cl)nc21
InChIInChI=1S/C9H13ClN4/c1-3-14-5-4-11-7-6(2)12-9(10)13-8(7)14/h11H,3-5H2,1-2H3
InChIKeyPITFRAJPMICVRD-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine?
The IUPAC name of 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine (CID 23422335) is 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine.
What is the SMILES notation for 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine?
The canonical SMILES for 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine is CCN1CCNc2c(C)nc(Cl)nc21.
What is the InChIKey of 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine?
The InChIKey is PITFRAJPMICVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-3-14-5-4-11-7-6(2)12-9(10)13-8(7)14/h11H,3-5H2,1-2H3.
What are the key properties of 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine?
2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine has a molecular weight of 212.68 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethyl-4-methyl-6,7-dihydro-5H-pteridine is sourced from PubChem (CID 23422335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).