4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one

C15H20N6O2S — CID 145420809

IUPAC4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1csc(C)n1)CC(=O)N2
InChIInChI=1S/C15H20N6O2S/c1-3-4-5-23-15-19-13(16)12-14(20-15)21(7-11(22)18-12)6-10-8-24-9(2)17-10/h8H,3-7H2,1-2H3,(H,18,22)(H2,16,19,20)
InChIKeyCZMCIFBIEMIECV-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one

4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one (PubChem CID 145420809) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one
PubChem CID145420809
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1csc(C)n1)CC(=O)N2
InChIInChI=1S/C15H20N6O2S/c1-3-4-5-23-15-19-13(16)12-14(20-15)21(7-11(22)18-12)6-10-8-24-9(2)17-10/h8H,3-7H2,1-2H3,(H,18,22)(H2,16,19,20)
InChIKeyCZMCIFBIEMIECV-UHFFFAOYSA-N
XLogP1.96
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one (CID 145420809) is 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1csc(C)n1)CC(=O)N2.
What is the InChIKey of 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one?
The InChIKey is CZMCIFBIEMIECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-3-4-5-23-15-19-13(16)12-14(20-15)21(7-11(22)18-12)6-10-8-24-9(2)17-10/h8H,3-7H2,1-2H3,(H,18,22)(H2,16,19,20).
What are the key properties of 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one?
4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one has a molecular weight of 348.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 145420809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).