N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine

C8H11F2N3O — CID 103081300

IUPACN-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
SMILESFC(F)COCCNc1ncccn1
InChIInChI=1S/C8H11F2N3O/c9-7(10)6-14-5-4-13-8-11-2-1-3-12-8/h1-3,7H,4-6H2,(H,11,12,13)
InChIKeyISUBKGBEHXWJJX-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine (PubChem CID 103081300) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
PubChem CID103081300
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
SMILESFC(F)COCCNc1ncccn1
InChIInChI=1S/C8H11F2N3O/c9-7(10)6-14-5-4-13-8-11-2-1-3-12-8/h1-3,7H,4-6H2,(H,11,12,13)
InChIKeyISUBKGBEHXWJJX-UHFFFAOYSA-N
XLogP1.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081298
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
CID 82010260
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
CID 103081629
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
CID 114129366
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 115684649

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine (CID 103081300) is N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine is FC(F)COCCNc1ncccn1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is ISUBKGBEHXWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-7(10)6-14-5-4-13-8-11-2-1-3-12-8/h1-3,7H,4-6H2,(H,11,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 203.19 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103081300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).