2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid

C17H15N3O3 — CID 122572557

IUPAC2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
SMILESCOc1ccc(-c2nccc(NCC(=O)O)n2)c2ccccc12
InChIInChI=1S/C17H15N3O3/c1-23-14-7-6-13(11-4-2-3-5-12(11)14)17-18-9-8-15(20-17)19-10-16(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyPPOOAQJVIQUYBE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.80
Rot. Bonds5

About 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid

2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid (PubChem CID 122572557) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
PubChem CID122572557
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
SMILESCOc1ccc(-c2nccc(NCC(=O)O)n2)c2ccccc12
InChIInChI=1S/C17H15N3O3/c1-23-14-7-6-13(11-4-2-3-5-12(11)14)17-18-9-8-15(20-17)19-10-16(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyPPOOAQJVIQUYBE-UHFFFAOYSA-N
XLogP2.80
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62203643
2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
CID 66808022
2-[(5,6-dimethoxyisoquinolin-1-yl)amino]acetic acid
CID 82571193
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305
2-[(8-amino-5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 82569965
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid (CID 122572557) is 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid is COc1ccc(-c2nccc(NCC(=O)O)n2)c2ccccc12.
What is the InChIKey of 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is PPOOAQJVIQUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-14-7-6-13(11-4-2-3-5-12(11)14)17-18-9-8-15(20-17)19-10-16(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid?
2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122572557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).