cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C12H18FN3O — CID 97059010

IUPACcis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1ncnc(NC[C@@H]2CCC[C@H]2O)c1F
InChIInChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16)/t8-,10+/m0/s1
InChIKeyMEQYGDURGWSXPQ-WCBMZHEXSA-N
MW239.29 g/mol
LogP1.75
Rot. Bonds4

About cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 97059010) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID97059010
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Namecis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1ncnc(NC[C@@H]2CCC[C@H]2O)c1F
InChIInChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16)/t8-,10+/m0/s1
InChIKeyMEQYGDURGWSXPQ-WCBMZHEXSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 97059010) is cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is CCc1ncnc(NC[C@@H]2CCC[C@H]2O)c1F.
What is the InChIKey of cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MEQYGDURGWSXPQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16)/t8-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 97059010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).