N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine

C9H13FN4 — CID 126987855

IUPACN-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine
SMILESCCN1CC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4/c1-2-14-5-8(6-14)13-9-11-3-7(10)4-12-9/h3-4,8H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyXQPVDNDYGDPPMK-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.73
Rot. Bonds3

About N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine

N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine (PubChem CID 126987855) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine
PubChem CID126987855
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC NameN-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine
SMILESCCN1CC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4/c1-2-14-5-8(6-14)13-9-11-3-7(10)4-12-9/h3-4,8H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyXQPVDNDYGDPPMK-UHFFFAOYSA-N
XLogP0.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine (CID 126987855) is N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine is CCN1CC(Nc2ncc(F)cn2)C1.
What is the InChIKey of N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is XQPVDNDYGDPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-2-14-5-8(6-14)13-9-11-3-7(10)4-12-9/h3-4,8H,2,5-6H2,1H3,(H,11,12,13).
What are the key properties of N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine?
N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 126987855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).