2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine

C14H17FN6O — CID 141221937

IUPAC2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine
SMILESCCOc1cc(N2C=CN([C@@H](C)c3ncc(F)cn3)C2)[nH]n1
InChIInChI=1S/C14H17FN6O/c1-3-22-13-6-12(18-19-13)21-5-4-20(9-21)10(2)14-16-7-11(15)8-17-14/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyIBVVOGMYDXJPDR-JTQLQIEISA-N
MW304.33 g/mol
LogP2.05
Rot. Bonds5

About 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine

2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine (PubChem CID 141221937) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine
PubChem CID141221937
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine
SMILESCCOc1cc(N2C=CN([C@@H](C)c3ncc(F)cn3)C2)[nH]n1
InChIInChI=1S/C14H17FN6O/c1-3-22-13-6-12(18-19-13)21-5-4-20(9-21)10(2)14-16-7-11(15)8-17-14/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyIBVVOGMYDXJPDR-JTQLQIEISA-N
XLogP2.05
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methoxy-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 16659677
5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659682
5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methoxy-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 16662069
5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 24949244
5-fluoro-4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25104611
4-ethoxy-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 50959180
5-Chloro-N4-(5-isopropoxy-1H-pyrazol-3-yl)-N2-[1-(5-fluoropyrimidin-2-yl) ethyl]pyrimidine-2,4-diamine
CID 66624461
5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 66624736
5-Bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 68607981
5-chloro-2-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68608169
2-chloro-5-fluoro-N-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87616238
2-chloro-N-(3-ethoxy-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-amine
CID 87617767

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine?
The IUPAC name of 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine (CID 141221937) is 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine?
The canonical SMILES for 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine is CCOc1cc(N2C=CN([C@@H](C)c3ncc(F)cn3)C2)[nH]n1.
What is the InChIKey of 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine?
The InChIKey is IBVVOGMYDXJPDR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN6O/c1-3-22-13-6-12(18-19-13)21-5-4-20(9-21)10(2)14-16-7-11(15)8-17-14/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine?
2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine has a molecular weight of 304.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine is sourced from PubChem (CID 141221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).