[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine

C12H11F2N3O — CID 115827479

IUPAC[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1ccccc1OC(F)F
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-10-4-2-1-3-9(10)11(15)8-5-16-7-17-6-8/h1-7,11-12H,15H2
InChIKeyBADBHVCCDUCPSU-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.13
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine

[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine (PubChem CID 115827479) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
PubChem CID115827479
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1ccccc1OC(F)F
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-10-4-2-1-3-9(10)11(15)8-5-16-7-17-6-8/h1-7,11-12H,15H2
InChIKeyBADBHVCCDUCPSU-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
CID 115805107
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanamine
CID 115790299
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
[[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288032
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171250237
(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43140072
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 61102058
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine?
The IUPAC name of [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine (CID 115827479) is [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine is NC(c1cncnc1)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine?
The InChIKey is BADBHVCCDUCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-12(14)18-10-4-2-1-3-9(10)11(15)8-5-16-7-17-6-8/h1-7,11-12H,15H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine?
[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine has a molecular weight of 251.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).