N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine

C10H14FN3O — CID 102609258

IUPACN-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine
SMILESCCOC1CC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-2-15-9-3-8(4-9)14-10-12-5-7(11)6-13-10/h5-6,8-9H,2-4H2,1H3,(H,12,13,14)
InChIKeyYDFDEIZYZNSLHH-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.60
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine

N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine (PubChem CID 102609258) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine
PubChem CID102609258
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC NameN-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine
SMILESCCOC1CC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-2-15-9-3-8(4-9)14-10-12-5-7(11)6-13-10/h5-6,8-9H,2-4H2,1H3,(H,12,13,14)
InChIKeyYDFDEIZYZNSLHH-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine (CID 102609258) is N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine is CCOC1CC(Nc2ncc(F)cn2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine?
The InChIKey is YDFDEIZYZNSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-15-9-3-8(4-9)14-10-12-5-7(11)6-13-10/h5-6,8-9H,2-4H2,1H3,(H,12,13,14).
What are the key properties of N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine?
N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine has a molecular weight of 211.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 102609258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).