N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine

C12H16FN5O — CID 134714670

IUPACN-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESCCN(CCn1cccn1)c1ncc(F)c(OC)n1
InChIInChI=1S/C12H16FN5O/c1-3-17(7-8-18-6-4-5-15-18)12-14-9-10(13)11(16-12)19-2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyFCFILCCIFAGIIP-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.35
Rot. Bonds6

About N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine (PubChem CID 134714670) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
PubChem CID134714670
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESCCN(CCn1cccn1)c1ncc(F)c(OC)n1
InChIInChI=1S/C12H16FN5O/c1-3-17(7-8-18-6-4-5-15-18)12-14-9-10(13)11(16-12)19-2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyFCFILCCIFAGIIP-UHFFFAOYSA-N
XLogP1.35
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine (CID 134714670) is N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine is CCN(CCn1cccn1)c1ncc(F)c(OC)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The InChIKey is FCFILCCIFAGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-3-17(7-8-18-6-4-5-15-18)12-14-9-10(13)11(16-12)19-2/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine has a molecular weight of 265.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-methoxy-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 134714670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).