N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine

C8H11F2N3O — CID 115407566

IUPACN-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCC(F)F)c1C
InChIInChI=1S/C8H11F2N3O/c1-5-7(11-3-6(9)10)12-4-13-8(5)14-2/h4,6H,3H2,1-2H3,(H,11,12,13)
InChIKeyAHHQVEPOICDDHD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.47
Rot. Bonds4

About N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine

N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 115407566) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID115407566
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCC(F)F)c1C
InChIInChI=1S/C8H11F2N3O/c1-5-7(11-3-6(9)10)12-4-13-8(5)14-2/h4,6H,3H2,1-2H3,(H,11,12,13)
InChIKeyAHHQVEPOICDDHD-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine (CID 115407566) is N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCC(F)F)c1C.
What is the InChIKey of N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is AHHQVEPOICDDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5-7(11-3-6(9)10)12-4-13-8(5)14-2/h4,6H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine?
N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 203.19 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115407566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).