2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

C11H14FN5O — CID 80813484

IUPAC2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2cc(C)on2)n1
InChIInChI=1S/C11H14FN5O/c1-3-13-11-15-6-9(12)10(16-11)14-5-8-4-7(2)18-17-8/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyRSXLHXKWRSTXBN-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.96
Rot. Bonds5

About 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80813484) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80813484
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2cc(C)on2)n1
InChIInChI=1S/C11H14FN5O/c1-3-13-11-15-6-9(12)10(16-11)14-5-8-4-7(2)18-17-8/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyRSXLHXKWRSTXBN-UHFFFAOYSA-N
XLogP1.96
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 80813484) is 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCc2cc(C)on2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RSXLHXKWRSTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-13-11-15-6-9(12)10(16-11)14-5-8-4-7(2)18-17-8/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 251.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80813484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).