2-chloropteridin-4-amine

C6H4ClN5 — CID 12848072

IUPAC2-chloropteridin-4-amine
SMILESNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C6H4ClN5/c7-6-11-4(8)3-5(12-6)10-2-1-9-3/h1-2H,(H2,8,10,11,12)
InChIKeyJAPFNSRLYRSKGB-UHFFFAOYSA-N
MW181.59 g/mol
LogP0.66
Rot. Bonds

About 2-chloropteridin-4-amine

2-chloropteridin-4-amine (PubChem CID 12848072) has the molecular formula C6H4ClN5 and a molecular weight of 181.59 g/mol. Its IUPAC name is 2-chloropteridin-4-amine.

Molecular Properties

Compound Name2-chloropteridin-4-amine
PubChem CID12848072
Molecular FormulaC6H4ClN5
Molecular Weight181.59 g/mol
Exact Mass181.02
IUPAC Name2-chloropteridin-4-amine
SMILESNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C6H4ClN5/c7-6-11-4(8)3-5(12-6)10-2-1-9-3/h1-2H,(H2,8,10,11,12)
InChIKeyJAPFNSRLYRSKGB-UHFFFAOYSA-N
XLogP0.66
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.59
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloropteridin-4-amine?
The IUPAC name of 2-chloropteridin-4-amine (CID 12848072) is 2-chloropteridin-4-amine.
What is the SMILES notation for 2-chloropteridin-4-amine?
The canonical SMILES for 2-chloropteridin-4-amine is Nc1nc(Cl)nc2nccnc12.
What is the InChIKey of 2-chloropteridin-4-amine?
The InChIKey is JAPFNSRLYRSKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5/c7-6-11-4(8)3-5(12-6)10-2-1-9-3/h1-2H,(H2,8,10,11,12).
What are the key properties of 2-chloropteridin-4-amine?
2-chloropteridin-4-amine has a molecular weight of 181.59 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropteridin-4-amine is sourced from PubChem (CID 12848072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).