2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid

C14H15N3O4 — CID 136959393

IUPAC2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
SMILESCOc1c(NCc2ccccc2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-21-12-13(16-8-17-14(12)20)15-7-10-5-3-2-4-9(10)6-11(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyRHYYCSZTYNTZCB-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.02
Rot. Bonds6

About 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid

2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid (PubChem CID 136959393) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
PubChem CID136959393
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
SMILESCOc1c(NCc2ccccc2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-21-12-13(16-8-17-14(12)20)15-7-10-5-3-2-4-9(10)6-11(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyRHYYCSZTYNTZCB-UHFFFAOYSA-N
XLogP1.02
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid with MolForge

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Related Compounds

5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 136959376
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958923
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid (CID 136959393) is 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid is COc1c(NCc2ccccc2CC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid?
The InChIKey is RHYYCSZTYNTZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-12-13(16-8-17-14(12)20)15-7-10-5-3-2-4-9(10)6-11(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid?
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 136959393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).