2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one

C9H13N5O2 — CID 146684612

IUPAC2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(=O)N1CCNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C9H13N5O2/c1-2-5(15)14-4-3-11-7-6(14)8(16)13-9(10)12-7/h2-4H2,1H3,(H4,10,11,12,13,16)
InChIKeyCYFWJZPZWIBVRD-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.48
Rot. Bonds1

About 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one

2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 146684612) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one
PubChem CID146684612
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(=O)N1CCNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C9H13N5O2/c1-2-5(15)14-4-3-11-7-6(14)8(16)13-9(10)12-7/h2-4H2,1H3,(H4,10,11,12,13,16)
InChIKeyCYFWJZPZWIBVRD-UHFFFAOYSA-N
XLogP-0.48
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one (CID 146684612) is 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one is CCC(=O)N1CCNc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is CYFWJZPZWIBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-2-5(15)14-4-3-11-7-6(14)8(16)13-9(10)12-7/h2-4H2,1H3,(H4,10,11,12,13,16).
What are the key properties of 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 223.24 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propanoyl-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 146684612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).