N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

C15H13N5O2 — CID 118231292

IUPACN-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(N)ccc1Oc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C15H13N5O2/c16-7-10-5-11(17)3-4-12(10)22-14-6-13(18-8-19-14)20-15(21)9-1-2-9/h3-6,8-9H,1-2,17H2,(H,18,19,20,21)
InChIKeyJQTQSOTXLSJKCU-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.07
Rot. Bonds4

About N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118231292) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118231292
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(N)ccc1Oc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C15H13N5O2/c16-7-10-5-11(17)3-4-12(10)22-14-6-13(18-8-19-14)20-15(21)9-1-2-9/h3-6,8-9H,1-2,17H2,(H,18,19,20,21)
InChIKeyJQTQSOTXLSJKCU-UHFFFAOYSA-N
XLogP2.07
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (CID 118231292) is N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is N#Cc1cc(N)ccc1Oc1cc(NC(=O)C2CC2)ncn1.
What is the InChIKey of N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is JQTQSOTXLSJKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c16-7-10-5-11(17)3-4-12(10)22-14-6-13(18-8-19-14)20-15(21)9-1-2-9/h3-6,8-9H,1-2,17H2,(H,18,19,20,21).
What are the key properties of N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118231292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).