6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine

C18H19F2N5 — CID 133418207

IUPAC6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2cnn(-c3ccc(F)cc3)c2C)c1F
InChIInChI=1S/C18H19F2N5/c1-4-16-17(20)18(22-10-21-16)24-11(2)15-9-23-25(12(15)3)14-7-5-13(19)6-8-14/h5-11H,4H2,1-3H3,(H,21,22,24)
InChIKeyXFWPELOZNYUKMS-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.98
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine (PubChem CID 133418207) has the molecular formula C18H19F2N5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
PubChem CID133418207
Molecular FormulaC18H19F2N5
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2cnn(-c3ccc(F)cc3)c2C)c1F
InChIInChI=1S/C18H19F2N5/c1-4-16-17(20)18(22-10-21-16)24-11(2)15-9-23-25(12(15)3)14-7-5-13(19)6-8-14/h5-11H,4H2,1-3H3,(H,21,22,24)
InChIKeyXFWPELOZNYUKMS-UHFFFAOYSA-N
XLogP3.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine
CID 71892003
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103879939
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine (CID 133418207) is 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2cnn(-c3ccc(F)cc3)c2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine?
The InChIKey is XFWPELOZNYUKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5/c1-4-16-17(20)18(22-10-21-16)24-11(2)15-9-23-25(12(15)3)14-7-5-13(19)6-8-14/h5-11H,4H2,1-3H3,(H,21,22,24).
What are the key properties of 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine has a molecular weight of 343.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133418207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).