4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine

C20H24FN3O2 — CID 133377929

IUPAC4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC3CCOC4(CCCCC4)C3)n2)cc1
InChIInChI=1S/C20H24FN3O2/c21-15-4-6-17(7-5-15)26-18-8-12-22-19(24-18)23-16-9-13-25-20(14-16)10-2-1-3-11-20/h4-8,12,16H,1-3,9-11,13-14H2,(H,22,23,24)
InChIKeyUPFHOBGWHMNABW-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.70
Rot. Bonds4

About 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine

4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine (PubChem CID 133377929) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
PubChem CID133377929
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC3CCOC4(CCCCC4)C3)n2)cc1
InChIInChI=1S/C20H24FN3O2/c21-15-4-6-17(7-5-15)26-18-8-12-22-19(24-18)23-16-9-13-25-20(14-16)10-2-1-3-11-20/h4-8,12,16H,1-3,9-11,13-14H2,(H,22,23,24)
InChIKeyUPFHOBGWHMNABW-UHFFFAOYSA-N
XLogP4.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477346
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(6-oxaspiro[4.5]decan-9-yl)thieno[3,2-b]pyridin-7-amine
CID 133377793

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine (CID 133377929) is 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine is Fc1ccc(Oc2ccnc(NC3CCOC4(CCCCC4)C3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine?
The InChIKey is UPFHOBGWHMNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-15-4-6-17(7-5-15)26-18-8-12-22-19(24-18)23-16-9-13-25-20(14-16)10-2-1-3-11-20/h4-8,12,16H,1-3,9-11,13-14H2,(H,22,23,24).
What are the key properties of 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine has a molecular weight of 357.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 133377929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).