2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C12H16F2N4O — CID 103080968

IUPAC2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCCOCC(F)F)cn2n1
InChIInChI=1S/C12H16F2N4O/c1-9-4-12-16-6-10(7-18(12)17-9)5-15-2-3-19-8-11(13)14/h4,6-7,11,15H,2-3,5,8H2,1H3
InChIKeyYGUSCSVFQRAJLC-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.41
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 103080968) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID103080968
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCCOCC(F)F)cn2n1
InChIInChI=1S/C12H16F2N4O/c1-9-4-12-16-6-10(7-18(12)17-9)5-15-2-3-19-8-11(13)14/h4,6-7,11,15H,2-3,5,8H2,1H3
InChIKeyYGUSCSVFQRAJLC-UHFFFAOYSA-N
XLogP1.41
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-phenylsulfanylethanamine
CID 62404236
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639318
N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 63784556
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
CID 103757618
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
CID 115765667
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827
N,N-dimethyl-1-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 105414494

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 103080968) is 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is Cc1cc2ncc(CNCCOCC(F)F)cn2n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is YGUSCSVFQRAJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c1-9-4-12-16-6-10(7-18(12)17-9)5-15-2-3-19-8-11(13)14/h4,6-7,11,15H,2-3,5,8H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 270.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 103080968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).