N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine

C12H18FN3O — CID 102609299

IUPACN-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCOC1CC(Nc2ncnc(CC)c2F)C1
InChIInChI=1S/C12H18FN3O/c1-3-10-11(13)12(15-7-14-10)16-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyIXCUCEMCTFRTBU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.16
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 102609299) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID102609299
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCOC1CC(Nc2ncnc(CC)c2F)C1
InChIInChI=1S/C12H18FN3O/c1-3-10-11(13)12(15-7-14-10)16-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyIXCUCEMCTFRTBU-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 102609299) is N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine is CCOC1CC(Nc2ncnc(CC)c2F)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is IXCUCEMCTFRTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-10-11(13)12(15-7-14-10)16-8-5-9(6-8)17-4-2/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 102609299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).