1,4-dihydropteridin-2-amine

C6H7N5 — CID 45080492

IUPAC1,4-dihydropteridin-2-amine
SMILESNC1=NCc2nccnc2N1
InChIInChI=1S/C6H7N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-2H,3H2,(H3,7,9,10,11)
InChIKeyOYKWCMYOWBZXFX-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.28
Rot. Bonds

About 1,4-dihydropteridin-2-amine

1,4-dihydropteridin-2-amine (PubChem CID 45080492) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1,4-dihydropteridin-2-amine.

Molecular Properties

Compound Name1,4-dihydropteridin-2-amine
PubChem CID45080492
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1,4-dihydropteridin-2-amine
SMILESNC1=NCc2nccnc2N1
InChIInChI=1S/C6H7N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-2H,3H2,(H3,7,9,10,11)
InChIKeyOYKWCMYOWBZXFX-UHFFFAOYSA-N
XLogP-0.28
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropteridin-2-amine?
The IUPAC name of 1,4-dihydropteridin-2-amine (CID 45080492) is 1,4-dihydropteridin-2-amine.
What is the SMILES notation for 1,4-dihydropteridin-2-amine?
The canonical SMILES for 1,4-dihydropteridin-2-amine is NC1=NCc2nccnc2N1.
What is the InChIKey of 1,4-dihydropteridin-2-amine?
The InChIKey is OYKWCMYOWBZXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-2H,3H2,(H3,7,9,10,11).
What are the key properties of 1,4-dihydropteridin-2-amine?
1,4-dihydropteridin-2-amine has a molecular weight of 149.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropteridin-2-amine is sourced from PubChem (CID 45080492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).