2-amino-6-propoxy-3H-pteridin-4-one

C9H11N5O2 — CID 171384714

IUPAC2-amino-6-propoxy-3H-pteridin-4-one
SMILESCCCOc1cnc2nc(N)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O2/c1-2-3-16-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h4H,2-3H2,1H3,(H3,10,11,13,14,15)
InChIKeyODZIACTWBNVCGD-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.08
Rot. Bonds3

About 2-amino-6-propoxy-3H-pteridin-4-one

2-amino-6-propoxy-3H-pteridin-4-one (PubChem CID 171384714) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-6-propoxy-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-propoxy-3H-pteridin-4-one
PubChem CID171384714
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-6-propoxy-3H-pteridin-4-one
SMILESCCCOc1cnc2nc(N)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O2/c1-2-3-16-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h4H,2-3H2,1H3,(H3,10,11,13,14,15)
InChIKeyODZIACTWBNVCGD-UHFFFAOYSA-N
XLogP0.08
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propoxy-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-propoxy-3H-pteridin-4-one (CID 171384714) is 2-amino-6-propoxy-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-propoxy-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-propoxy-3H-pteridin-4-one is CCCOc1cnc2nc(N)[nH]c(=O)c2n1.
What is the InChIKey of 2-amino-6-propoxy-3H-pteridin-4-one?
The InChIKey is ODZIACTWBNVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-3-16-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h4H,2-3H2,1H3,(H3,10,11,13,14,15).
What are the key properties of 2-amino-6-propoxy-3H-pteridin-4-one?
2-amino-6-propoxy-3H-pteridin-4-one has a molecular weight of 221.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propoxy-3H-pteridin-4-one is sourced from PubChem (CID 171384714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).