[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine

C8H11F2N3O — CID 118162151

IUPAC[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine
SMILESCC(F)(F)COc1ncncc1CN
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)4-14-7-6(2-11)3-12-5-13-7/h3,5H,2,4,11H2,1H3
InChIKeyBAXXHIMGOVSBPP-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.97
Rot. Bonds4

About [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine

[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine (PubChem CID 118162151) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine
PubChem CID118162151
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine
SMILESCC(F)(F)COc1ncncc1CN
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)4-14-7-6(2-11)3-12-5-13-7/h3,5H,2,4,11H2,1H3
InChIKeyBAXXHIMGOVSBPP-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine (CID 118162151) is [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine is CC(F)(F)COc1ncncc1CN.
What is the InChIKey of [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine?
The InChIKey is BAXXHIMGOVSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)4-14-7-6(2-11)3-12-5-13-7/h3,5H,2,4,11H2,1H3.
What are the key properties of [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine?
[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine has a molecular weight of 203.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 118162151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).