6-(3-methylbutyl)pteridine-2,4-diamine

C11H16N6 — CID 119091308

IUPAC6-(3-methylbutyl)pteridine-2,4-diamine
SMILESCC(C)CCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C11H16N6/c1-6(2)3-4-7-5-14-10-8(15-7)9(12)16-11(13)17-10/h5-6H,3-4H2,1-2H3,(H4,12,13,14,16,17)
InChIKeyMUDSSXLYKSBBGB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.17
Rot. Bonds3

About 6-(3-methylbutyl)pteridine-2,4-diamine

6-(3-methylbutyl)pteridine-2,4-diamine (PubChem CID 119091308) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-(3-methylbutyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylbutyl)pteridine-2,4-diamine
PubChem CID119091308
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-(3-methylbutyl)pteridine-2,4-diamine
SMILESCC(C)CCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C11H16N6/c1-6(2)3-4-7-5-14-10-8(15-7)9(12)16-11(13)17-10/h5-6H,3-4H2,1-2H3,(H4,12,13,14,16,17)
InChIKeyMUDSSXLYKSBBGB-UHFFFAOYSA-N
XLogP1.17
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)pteridine-2,4-diamine?
The IUPAC name of 6-(3-methylbutyl)pteridine-2,4-diamine (CID 119091308) is 6-(3-methylbutyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(3-methylbutyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(3-methylbutyl)pteridine-2,4-diamine is CC(C)CCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-(3-methylbutyl)pteridine-2,4-diamine?
The InChIKey is MUDSSXLYKSBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-6(2)3-4-7-5-14-10-8(15-7)9(12)16-11(13)17-10/h5-6H,3-4H2,1-2H3,(H4,12,13,14,16,17).
What are the key properties of 6-(3-methylbutyl)pteridine-2,4-diamine?
6-(3-methylbutyl)pteridine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)pteridine-2,4-diamine is sourced from PubChem (CID 119091308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).