N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

C15H16N4O2 — CID 90020675

IUPACN-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1N
InChIInChI=1S/C15H16N4O2/c1-9-6-11(4-5-12(9)16)21-14-7-13(17-8-18-14)19-15(20)10-2-3-10/h4-8,10H,2-3,16H2,1H3,(H,17,18,19,20)
InChIKeyQXWMNGLVXJSHIV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.51
Rot. Bonds4

About N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 90020675) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID90020675
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1N
InChIInChI=1S/C15H16N4O2/c1-9-6-11(4-5-12(9)16)21-14-7-13(17-8-18-14)19-15(20)10-2-3-10/h4-8,10H,2-3,16H2,1H3,(H,17,18,19,20)
InChIKeyQXWMNGLVXJSHIV-UHFFFAOYSA-N
XLogP2.51
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (CID 90020675) is N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1N.
What is the InChIKey of N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is QXWMNGLVXJSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-6-11(4-5-12(9)16)21-14-7-13(17-8-18-14)19-15(20)10-2-3-10/h4-8,10H,2-3,16H2,1H3,(H,17,18,19,20).
What are the key properties of N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90020675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).