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

C12H14FN5O — CID 133497967

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc(C3CC3)o2)c1F
InChIInChI=1S/C12H14FN5O/c1-2-8-10(13)11(16-6-15-8)14-5-9-17-18-12(19-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyOTNYEXKJKIHAHN-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.05
Rot. Bonds5

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133497967) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133497967
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc(C3CC3)o2)c1F
InChIInChI=1S/C12H14FN5O/c1-2-8-10(13)11(16-6-15-8)14-5-9-17-18-12(19-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyOTNYEXKJKIHAHN-UHFFFAOYSA-N
XLogP2.05
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133497967) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2nnc(C3CC3)o2)c1F.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is OTNYEXKJKIHAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-2-8-10(13)11(16-6-15-8)14-5-9-17-18-12(19-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 263.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133497967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).