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

C14H19FN4O — CID 133419437

IUPACN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2c(CC)noc2CC)c1F
InChIInChI=1S/C14H19FN4O/c1-4-10-9(12(6-3)20-19-10)7-16-14-13(15)11(5-2)17-8-18-14/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWXSMMSGUHFRBGU-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.90
Rot. Bonds6

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

N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133419437) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133419437
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2c(CC)noc2CC)c1F
InChIInChI=1S/C14H19FN4O/c1-4-10-9(12(6-3)20-19-10)7-16-14-13(15)11(5-2)17-8-18-14/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWXSMMSGUHFRBGU-UHFFFAOYSA-N
XLogP2.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133419437) is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2c(CC)noc2CC)c1F.
What is the InChIKey of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is WXSMMSGUHFRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-10-9(12(6-3)20-19-10)7-16-14-13(15)11(5-2)17-8-18-14/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 278.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133419437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).