6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

C14H18FN5O — CID 167950849

IUPAC6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1F
InChIInChI=1S/C14H18FN5O/c1-2-11-12(15)14(18-8-17-11)16-5-9-3-4-21-13(9)10-6-19-20-7-10/h6-9,13H,2-5H2,1H3,(H,19,20)(H,16,17,18)/t9-,13+/m1/s1
InChIKeyUQGJUGXIHFYBHF-RNCFNFMXSA-N
MW291.33 g/mol
LogP2.09
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 167950849) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
PubChem CID167950849
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1F
InChIInChI=1S/C14H18FN5O/c1-2-11-12(15)14(18-8-17-11)16-5-9-3-4-21-13(9)10-6-19-20-7-10/h6-9,13H,2-5H2,1H3,(H,19,20)(H,16,17,18)/t9-,13+/m1/s1
InChIKeyUQGJUGXIHFYBHF-RNCFNFMXSA-N
XLogP2.09
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (CID 167950849) is 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is CCc1ncnc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is UQGJUGXIHFYBHF-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-11-12(15)14(18-8-17-11)16-5-9-3-4-21-13(9)10-6-19-20-7-10/h6-9,13H,2-5H2,1H3,(H,19,20)(H,16,17,18)/t9-,13+/m1/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 291.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 167950849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).