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

C15H23N5O — CID 50973307

IUPAC5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCc1noc(C(C)C)n1
InChIInChI=1S/C15H23N5O/c1-6-12-9-16-11(4)17-14(12)20(5)8-7-13-18-15(10(2)3)21-19-13/h9-10H,6-8H2,1-5H3
InChIKeyYSWBOQGLSPNCOB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds6

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

5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 50973307) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID50973307
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCc1noc(C(C)C)n1
InChIInChI=1S/C15H23N5O/c1-6-12-9-16-11(4)17-14(12)20(5)8-7-13-18-15(10(2)3)21-19-13/h9-10H,6-8H2,1-5H3
InChIKeyYSWBOQGLSPNCOB-UHFFFAOYSA-N
XLogP2.53
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 50973307) is 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is CCc1cnc(C)nc1N(C)CCc1noc(C(C)C)n1.
What is the InChIKey of 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YSWBOQGLSPNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-12-9-16-11(4)17-14(12)20(5)8-7-13-18-15(10(2)3)21-19-13/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).