N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine

C12H12F2N4O — CID 163343585

IUPACN-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1cccnc1-c1cnc(NCC(F)F)nc1
InChIInChI=1S/C12H12F2N4O/c1-19-9-3-2-4-15-11(9)8-5-16-12(17-6-8)18-7-10(13)14/h2-6,10H,7H2,1H3,(H,16,17,18)
InChIKeyLFQWIHJLPPOEBM-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.22
Rot. Bonds5

About N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine

N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine (PubChem CID 163343585) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine
PubChem CID163343585
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1cccnc1-c1cnc(NCC(F)F)nc1
InChIInChI=1S/C12H12F2N4O/c1-19-9-3-2-4-15-11(9)8-5-16-12(17-6-8)18-7-10(13)14/h2-6,10H,7H2,1H3,(H,16,17,18)
InChIKeyLFQWIHJLPPOEBM-UHFFFAOYSA-N
XLogP2.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
4-(3-methoxy-2-pyridinyl)benzonitrile
CID 67291948
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 169119413
3-methoxy-2-(2-methylpyrazol-3-yl)pyridine
CID 173069965
4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride
CID 69145376
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine (CID 163343585) is N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine is COc1cccnc1-c1cnc(NCC(F)F)nc1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is LFQWIHJLPPOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-19-9-3-2-4-15-11(9)8-5-16-12(17-6-8)18-7-10(13)14/h2-6,10H,7H2,1H3,(H,16,17,18).
What are the key properties of N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine?
N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 266.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 163343585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).