4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline

C12H14N4O — CID 68537192

IUPAC4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
SMILESCc1cc(N)ccc1Oc1cc(CN)ncn1
InChIInChI=1S/C12H14N4O/c1-8-4-9(14)2-3-11(8)17-12-5-10(6-13)15-7-16-12/h2-5,7H,6,13-14H2,1H3
InChIKeyQQLHMCUAEUENAO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.62
Rot. Bonds3

About 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline

4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline (PubChem CID 68537192) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline.

Molecular Properties

Compound Name4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
PubChem CID68537192
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
SMILESCc1cc(N)ccc1Oc1cc(CN)ncn1
InChIInChI=1S/C12H14N4O/c1-8-4-9(14)2-3-11(8)17-12-5-10(6-13)15-7-16-12/h2-5,7H,6,13-14H2,1H3
InChIKeyQQLHMCUAEUENAO-UHFFFAOYSA-N
XLogP1.62
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline?
The IUPAC name of 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline (CID 68537192) is 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline.
What is the SMILES notation for 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline?
The canonical SMILES for 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline is Cc1cc(N)ccc1Oc1cc(CN)ncn1.
What is the InChIKey of 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline?
The InChIKey is QQLHMCUAEUENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-9(14)2-3-11(8)17-12-5-10(6-13)15-7-16-12/h2-5,7H,6,13-14H2,1H3.
What are the key properties of 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline?
4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline has a molecular weight of 230.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline is sourced from PubChem (CID 68537192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).