N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

C14H13FN4O2 — CID 118231297

IUPACN-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccc(F)c(Oc2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C14H13FN4O2/c15-10-4-3-9(16)5-11(10)21-13-6-12(17-7-18-13)19-14(20)8-1-2-8/h3-8H,1-2,16H2,(H,17,18,19,20)
InChIKeySEBGJILOKADOSN-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.34
Rot. Bonds4

About N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118231297) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118231297
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccc(F)c(Oc2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C14H13FN4O2/c15-10-4-3-9(16)5-11(10)21-13-6-12(17-7-18-13)19-14(20)8-1-2-8/h3-8H,1-2,16H2,(H,17,18,19,20)
InChIKeySEBGJILOKADOSN-UHFFFAOYSA-N
XLogP2.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231292
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 90020675
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 23153151
N-[6-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118233975
2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 142783290
N-[6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-fluoro-5-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 72945585
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]urea
CID 69008179
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-1-methylurea
CID 23153028
N-[6-[4-[3-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-oxopropyl]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 158957963
N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 147478703
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
CID 118231309

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide (CID 118231297) is N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is Nc1ccc(F)c(Oc2cc(NC(=O)C3CC3)ncn2)c1.
What is the InChIKey of N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is SEBGJILOKADOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-10-4-3-9(16)5-11(10)21-13-6-12(17-7-18-13)19-14(20)8-1-2-8/h3-8H,1-2,16H2,(H,17,18,19,20).
What are the key properties of N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118231297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).