4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

C10H15N3O4 — CID 136958947

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1c(NC(C)CCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(3-4-7(14)15)13-9-8(17-2)10(16)12-5-11-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNLPBNYYDCZDTKC-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.44
Rot. Bonds6

About 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958947) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958947
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1c(NC(C)CCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(3-4-7(14)15)13-9-8(17-2)10(16)12-5-11-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNLPBNYYDCZDTKC-UHFFFAOYSA-N
XLogP0.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958947) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is COc1c(NC(C)CCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is NLPBNYYDCZDTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(3-4-7(14)15)13-9-8(17-2)10(16)12-5-11-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).