6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

C11H13FN4O — CID 103880297

IUPAC6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ncc(C)o2)c1F
InChIInChI=1S/C11H13FN4O/c1-3-8-10(12)11(16-6-15-8)14-5-9-13-4-7(2)17-9/h4,6H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDTALJJIVXQVGCA-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.09
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 103880297) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID103880297
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ncc(C)o2)c1F
InChIInChI=1S/C11H13FN4O/c1-3-8-10(12)11(16-6-15-8)14-5-9-13-4-7(2)17-9/h4,6H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDTALJJIVXQVGCA-UHFFFAOYSA-N
XLogP2.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375529
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378482
2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 106378499
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 106378528

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 103880297) is 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ncc(C)o2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DTALJJIVXQVGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-8-10(12)11(16-6-15-8)14-5-9-13-4-7(2)17-9/h4,6H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 236.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103880297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).