6,7,7-trimethyl-8H-pteridine-2,4-diamine

C9H14N6 — CID 45485275

IUPAC6,7,7-trimethyl-8H-pteridine-2,4-diamine
SMILESCC1=Nc2c(N)nc(N)nc2NC1(C)C
InChIInChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)
InChIKeyGDXJTHGAKWYHNK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.94
Rot. Bonds

About 6,7,7-trimethyl-8H-pteridine-2,4-diamine

6,7,7-trimethyl-8H-pteridine-2,4-diamine (PubChem CID 45485275) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6,7,7-trimethyl-8H-pteridine-2,4-diamine.

Molecular Properties

Compound Name6,7,7-trimethyl-8H-pteridine-2,4-diamine
PubChem CID45485275
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name6,7,7-trimethyl-8H-pteridine-2,4-diamine
SMILESCC1=Nc2c(N)nc(N)nc2NC1(C)C
InChIInChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)
InChIKeyGDXJTHGAKWYHNK-UHFFFAOYSA-N
XLogP0.94
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethyl-8H-pteridine-2,4-diamine?
The IUPAC name of 6,7,7-trimethyl-8H-pteridine-2,4-diamine (CID 45485275) is 6,7,7-trimethyl-8H-pteridine-2,4-diamine.
What is the SMILES notation for 6,7,7-trimethyl-8H-pteridine-2,4-diamine?
The canonical SMILES for 6,7,7-trimethyl-8H-pteridine-2,4-diamine is CC1=Nc2c(N)nc(N)nc2NC1(C)C.
What is the InChIKey of 6,7,7-trimethyl-8H-pteridine-2,4-diamine?
The InChIKey is GDXJTHGAKWYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15).
What are the key properties of 6,7,7-trimethyl-8H-pteridine-2,4-diamine?
6,7,7-trimethyl-8H-pteridine-2,4-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethyl-8H-pteridine-2,4-diamine is sourced from PubChem (CID 45485275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).