2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline

C13H14ClN3O2 — CID 102902759

IUPAC2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
SMILESCOc1ncc(Cl)c(OCCc2ccccc2N)n1
InChIInChI=1S/C13H14ClN3O2/c1-18-13-16-8-10(14)12(17-13)19-7-6-9-4-2-3-5-11(9)15/h2-5,8H,6-7,15H2,1H3
InChIKeyPKHIDTWPLNWHIB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline

2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline (PubChem CID 102902759) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
PubChem CID102902759
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
SMILESCOc1ncc(Cl)c(OCCc2ccccc2N)n1
InChIInChI=1S/C13H14ClN3O2/c1-18-13-16-8-10(14)12(17-13)19-7-6-9-4-2-3-5-11(9)15/h2-5,8H,6-7,15H2,1H3
InChIKeyPKHIDTWPLNWHIB-UHFFFAOYSA-N
XLogP2.34
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine
CID 80752447
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
CID 102902960
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
CID 102902817
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
CID 103204598
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline?
The IUPAC name of 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline (CID 102902759) is 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline is COc1ncc(Cl)c(OCCc2ccccc2N)n1.
What is the InChIKey of 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline?
The InChIKey is PKHIDTWPLNWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-18-13-16-8-10(14)12(17-13)19-7-6-9-4-2-3-5-11(9)15/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline?
2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline has a molecular weight of 279.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline is sourced from PubChem (CID 102902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).