N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine

C14H18N4O3 — CID 115355315

IUPACN-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O3/c1-19-12-9-13(20-2)18-14(17-12)16-7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyFBGSKKFJDRWKJK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine

N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355315) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355315
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O3/c1-19-12-9-13(20-2)18-14(17-12)16-7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyFBGSKKFJDRWKJK-UHFFFAOYSA-N
XLogP1.57
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 141283349
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80757950
N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109
4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
CID 82460969
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661
N-[2-(4-aminophenoxy)ethyl]-5-nitropyrimidin-2-amine
CID 63238244

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine (CID 115355315) is N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NCCOc2ccc(N)cc2)n1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is FBGSKKFJDRWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-19-12-9-13(20-2)18-14(17-12)16-7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).