2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one

C10H13N5O2 — CID 23849787

IUPAC2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2[nH]c1=O
InChIInChI=1S/C10H13N5O2/c1-4(2)17-9-6-7(14-10(11)15-9)13-8(16)5(3)12-6/h4H,1-3H3,(H3,11,13,14,15,16)
InChIKeyWTEZPJPIBUAQAE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.39
Rot. Bonds2

About 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one

2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one (PubChem CID 23849787) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one.

Molecular Properties

Compound Name2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one
PubChem CID23849787
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2[nH]c1=O
InChIInChI=1S/C10H13N5O2/c1-4(2)17-9-6-7(14-10(11)15-9)13-8(16)5(3)12-6/h4H,1-3H3,(H3,11,13,14,15,16)
InChIKeyWTEZPJPIBUAQAE-UHFFFAOYSA-N
XLogP0.39
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one?
The IUPAC name of 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one (CID 23849787) is 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one.
What is the SMILES notation for 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one?
The canonical SMILES for 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one is Cc1nc2c(OC(C)C)nc(N)nc2[nH]c1=O.
What is the InChIKey of 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one?
The InChIKey is WTEZPJPIBUAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4(2)17-9-6-7(14-10(11)15-9)13-8(16)5(3)12-6/h4H,1-3H3,(H3,11,13,14,15,16).
What are the key properties of 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one?
2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one has a molecular weight of 235.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-propan-2-yloxy-8H-pteridin-7-one is sourced from PubChem (CID 23849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).