4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine

C14H17FN4O — CID 90488515

IUPAC4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-3-19(4-2)13-12(16)14(18-9-17-13)20-11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3
InChIKeyGSSDFCPKPWESHD-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.84
Rot. Bonds5

About 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine

4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine (PubChem CID 90488515) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine
PubChem CID90488515
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-3-19(4-2)13-12(16)14(18-9-17-13)20-11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3
InChIKeyGSSDFCPKPWESHD-UHFFFAOYSA-N
XLogP2.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine (CID 90488515) is 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine is CCN(CC)c1ncnc(Oc2ccc(F)cc2)c1N.
What is the InChIKey of 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine?
The InChIKey is GSSDFCPKPWESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-19(4-2)13-12(16)14(18-9-17-13)20-11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3.
What are the key properties of 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine?
4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(4-fluorophenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 90488515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).