2-amino-8-methyl-4-propan-2-yloxypteridin-7-one

C10H13N5O2 — CID 171384888

IUPAC2-amino-8-methyl-4-propan-2-yloxypteridin-7-one
SMILESCC(C)Oc1nc(N)nc2c1ncc(=O)n2C
InChIInChI=1S/C10H13N5O2/c1-5(2)17-9-7-8(13-10(11)14-9)15(3)6(16)4-12-7/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyLXUJVYUUTCHLQV-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.09
Rot. Bonds2

About 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one

2-amino-8-methyl-4-propan-2-yloxypteridin-7-one (PubChem CID 171384888) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one.

Molecular Properties

Compound Name2-amino-8-methyl-4-propan-2-yloxypteridin-7-one
PubChem CID171384888
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-8-methyl-4-propan-2-yloxypteridin-7-one
SMILESCC(C)Oc1nc(N)nc2c1ncc(=O)n2C
InChIInChI=1S/C10H13N5O2/c1-5(2)17-9-7-8(13-10(11)14-9)15(3)6(16)4-12-7/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyLXUJVYUUTCHLQV-UHFFFAOYSA-N
XLogP0.09
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one?
The IUPAC name of 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one (CID 171384888) is 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one.
What is the SMILES notation for 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one?
The canonical SMILES for 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one is CC(C)Oc1nc(N)nc2c1ncc(=O)n2C.
What is the InChIKey of 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one?
The InChIKey is LXUJVYUUTCHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5(2)17-9-7-8(13-10(11)14-9)15(3)6(16)4-12-7/h4-5H,1-3H3,(H2,11,13,14).
What are the key properties of 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one?
2-amino-8-methyl-4-propan-2-yloxypteridin-7-one has a molecular weight of 235.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-4-propan-2-yloxypteridin-7-one is sourced from PubChem (CID 171384888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).