6-butylpteridine-2,4-diamine

C10H14N6 — CID 119091307

IUPAC6-butylpteridine-2,4-diamine
SMILESCCCCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C10H14N6/c1-2-3-4-6-5-13-9-7(14-6)8(11)15-10(12)16-9/h5H,2-4H2,1H3,(H4,11,12,13,15,16)
InChIKeyDIESQRSZCPOAFE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.93
Rot. Bonds3

About 6-butylpteridine-2,4-diamine

6-butylpteridine-2,4-diamine (PubChem CID 119091307) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-butylpteridine-2,4-diamine.

Molecular Properties

Compound Name6-butylpteridine-2,4-diamine
PubChem CID119091307
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-butylpteridine-2,4-diamine
SMILESCCCCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C10H14N6/c1-2-3-4-6-5-13-9-7(14-6)8(11)15-10(12)16-9/h5H,2-4H2,1H3,(H4,11,12,13,15,16)
InChIKeyDIESQRSZCPOAFE-UHFFFAOYSA-N
XLogP0.93
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-butylpteridine-2,4-diamine?
The IUPAC name of 6-butylpteridine-2,4-diamine (CID 119091307) is 6-butylpteridine-2,4-diamine.
What is the SMILES notation for 6-butylpteridine-2,4-diamine?
The canonical SMILES for 6-butylpteridine-2,4-diamine is CCCCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-butylpteridine-2,4-diamine?
The InChIKey is DIESQRSZCPOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-3-4-6-5-13-9-7(14-6)8(11)15-10(12)16-9/h5H,2-4H2,1H3,(H4,11,12,13,15,16).
What are the key properties of 6-butylpteridine-2,4-diamine?
6-butylpteridine-2,4-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylpteridine-2,4-diamine is sourced from PubChem (CID 119091307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).