N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine

C12H20FN3O2 — CID 82960073

IUPACN,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
SMILESCCOCCN(CCOCC)c1cc(F)ncn1
InChIInChI=1S/C12H20FN3O2/c1-3-17-7-5-16(6-8-18-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3
InChIKeyOGCBIFBNVIOHTB-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.50
Rot. Bonds9

About N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine

N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine (PubChem CID 82960073) has the molecular formula C12H20FN3O2 and a molecular weight of 257.31 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
PubChem CID82960073
Molecular FormulaC12H20FN3O2
Molecular Weight257.31 g/mol
Exact Mass257.15
IUPAC NameN,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
SMILESCCOCCN(CCOCC)c1cc(F)ncn1
InChIInChI=1S/C12H20FN3O2/c1-3-17-7-5-16(6-8-18-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3
InChIKeyOGCBIFBNVIOHTB-UHFFFAOYSA-N
XLogP1.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine (CID 82960073) is N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine is CCOCCN(CCOCC)c1cc(F)ncn1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine?
The InChIKey is OGCBIFBNVIOHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2/c1-3-17-7-5-16(6-8-18-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine?
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine has a molecular weight of 257.31 g/mol, XLogP of 1.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 82960073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).