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

C12H15FN4O — CID 113344328

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2c(C)noc2C)c1F
InChIInChI=1S/C12H15FN4O/c1-4-10-11(13)12(16-6-15-10)14-5-9-7(2)17-18-8(9)3/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYHRGSVAIBPBYNL-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.40
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 113344328) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID113344328
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2c(C)noc2C)c1F
InChIInChI=1S/C12H15FN4O/c1-4-10-11(13)12(16-6-15-10)14-5-9-7(2)17-18-8(9)3/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYHRGSVAIBPBYNL-UHFFFAOYSA-N
XLogP2.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 113344328) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2c(C)noc2C)c1F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is YHRGSVAIBPBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-4-10-11(13)12(16-6-15-10)14-5-9-7(2)17-18-8(9)3/h6H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 250.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 113344328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).