N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine

C8H12FN3O2 — CID 107389783

IUPACN-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
SMILESCOC(CNc1ncc(F)cn1)OC
InChIInChI=1S/C8H12FN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12)
InChIKeyFDPXBSWNKWVRCP-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.65
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine

N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine (PubChem CID 107389783) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
PubChem CID107389783
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC NameN-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
SMILESCOC(CNc1ncc(F)cn1)OC
InChIInChI=1S/C8H12FN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12)
InChIKeyFDPXBSWNKWVRCP-UHFFFAOYSA-N
XLogP0.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine (CID 107389783) is N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine is COC(CNc1ncc(F)cn1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine?
The InChIKey is FDPXBSWNKWVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12).
What are the key properties of N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine?
N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine has a molecular weight of 201.20 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 107389783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).