2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one

C10H13N5O2 — CID 171384274

IUPAC2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one
SMILESCC(=O)CC1=Nc2c(nc(N)[nH]c2=O)N(C)C1
InChIInChI=1S/C10H13N5O2/c1-5(16)3-6-4-15(2)8-7(12-6)9(17)14-10(11)13-8/h3-4H2,1-2H3,(H3,11,13,14,17)
InChIKeyDPNHCYIXKVMMKJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.15
Rot. Bonds2

About 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one

2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one (PubChem CID 171384274) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one
PubChem CID171384274
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one
SMILESCC(=O)CC1=Nc2c(nc(N)[nH]c2=O)N(C)C1
InChIInChI=1S/C10H13N5O2/c1-5(16)3-6-4-15(2)8-7(12-6)9(17)14-10(11)13-8/h3-4H2,1-2H3,(H3,11,13,14,17)
InChIKeyDPNHCYIXKVMMKJ-UHFFFAOYSA-N
XLogP-0.15
TPSA104.44 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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one?
The IUPAC name of 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one (CID 171384274) is 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one.
What is the SMILES notation for 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one?
The canonical SMILES for 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one is CC(=O)CC1=Nc2c(nc(N)[nH]c2=O)N(C)C1.
What is the InChIKey of 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one?
The InChIKey is DPNHCYIXKVMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5(16)3-6-4-15(2)8-7(12-6)9(17)14-10(11)13-8/h3-4H2,1-2H3,(H3,11,13,14,17).
What are the key properties of 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one?
2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one has a molecular weight of 235.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-6-(2-oxopropyl)-3,7-dihydropteridin-4-one is sourced from PubChem (CID 171384274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).