5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

C13H19N5O — CID 72914035

IUPAC5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESCCc1cnc(N(C)Cc2noc(C(C)C)n2)nc1
InChIInChI=1S/C13H19N5O/c1-5-10-6-14-13(15-7-10)18(4)8-11-16-12(9(2)3)19-17-11/h6-7,9H,5,8H2,1-4H3
InChIKeyXBDCKVORQAXBJE-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.18
Rot. Bonds5

About 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 72914035) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID72914035
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESCCc1cnc(N(C)Cc2noc(C(C)C)n2)nc1
InChIInChI=1S/C13H19N5O/c1-5-10-6-14-13(15-7-10)18(4)8-11-16-12(9(2)3)19-17-11/h6-7,9H,5,8H2,1-4H3
InChIKeyXBDCKVORQAXBJE-UHFFFAOYSA-N
XLogP2.18
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (CID 72914035) is 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is CCc1cnc(N(C)Cc2noc(C(C)C)n2)nc1.
What is the InChIKey of 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is XBDCKVORQAXBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-10-6-14-13(15-7-10)18(4)8-11-16-12(9(2)3)19-17-11/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72914035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).