N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine

C13H15ClN4O2 — CID 80757950

IUPACN-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCOc2ccc(N)cc2)n1
InChIInChI=1S/C13H15ClN4O2/c1-19-13-17-8-11(14)12(18-13)16-6-7-20-10-4-2-9(15)3-5-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyWQDLZIVHSCKMLY-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine

N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine (PubChem CID 80757950) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
PubChem CID80757950
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCOc2ccc(N)cc2)n1
InChIInChI=1S/C13H15ClN4O2/c1-19-13-17-8-11(14)12(18-13)16-6-7-20-10-4-2-9(15)3-5-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyWQDLZIVHSCKMLY-UHFFFAOYSA-N
XLogP2.21
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 103766956
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355315
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
CID 80751988
5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103794340

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine (CID 80757950) is N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCCOc2ccc(N)cc2)n1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine?
The InChIKey is WQDLZIVHSCKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-19-13-17-8-11(14)12(18-13)16-6-7-20-10-4-2-9(15)3-5-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine?
N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine has a molecular weight of 294.74 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 80757950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).